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Phenylpropanoic acids
Description:
Compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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(R)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acidCas Number: 500788-90-9 Compound CID: 2761771Formula: C14H17Cl2NO4 Molecular Weight: 334.2IUPAC Name: (3R)-3-(2,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=C(C=C(C=C1)Cl)ClInChIKey: FYFDBWTUQWRLDK-LLVKDONJSA-NInChI: InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)9-5-4-8(15)6-10(9)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
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(R)-3-((tert-Butoxycarbonyl)amino)-3-(3-nitrophenyl)propanoic acidCas Number: 501015-24-3 Compound CID: 2761744Formula: C14H18N2O6 Molecular Weight: 310.3IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)[N+](=O)[O-]InChIKey: VSSDZTCJXHBUGF-LLVKDONJSA-NInChI: InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(8-12(17)18)9-5-4-6-10(7-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
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(R)-3-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acidCas Number: 500770-85-4 Compound CID: 2761746Formula: C14H18N2O6 Molecular Weight: 310.3IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-]InChIKey: JLVLDNCAYKCLCI-LLVKDONJSA-NInChI: InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(8-12(17)18)9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
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(R)-3-((tert-Butoxycarbonyl)amino)-3-(2-methoxyphenyl)propanoic acidCas Number: 500788-85-2 Compound CID: 2761757Formula: C15H21NO5 Molecular Weight: 295.33IUPAC Name: (3R)-3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1OCInChIKey: HTVHHPNRENCUJY-LLVKDONJSA-NInChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-11(9-13(17)18)10-7-5-6-8-12(10)20-4/h5-8,11H,9H2,1-4H3,(H,16,19)(H,17,18)/t11-/m1/s1
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(R)-3-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acidCas Number: 501015-23-2 Compound CID: 2761742Formula: C14H18N2O6 Molecular Weight: 310.3IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1[N+](=O)[O-]InChIKey: SAVFDQXYVJSWEN-SNVBAGLBSA-NInChI: InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(8-12(17)18)9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m1/s1
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(R)-3-((tert-Butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acidCas Number: 501015-17-4 Compound CID: 2761729Formula: C15H18F3NO4 Molecular Weight: 333.3IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acidSMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1C(F)(F)FInChIKey: DYZRXQICSTZZKP-LLVKDONJSA-NInChI: InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(8-12(20)21)9-6-4-5-7-10(9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
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(R)-2-Benzylsuccinic acidCas Number: 21307-97-1Formula: C11H12O4 Molecular Weight: 208.21IUPAC Name: (2R)-2-benzylbutanedioic acidSMILES: C1=CC=C(C=C1)CC(CC(=O)O)C(=O)OInChIKey: GTOFKXZQQDSVFH-SECBINFHSA-NInChI: InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1
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(R)-2-Benzyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acidCas Number: 706806-60-2 Compound CID: 2761823Formula: C17H23NO4 Molecular Weight: 305.4IUPAC Name: (2R)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidSMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2)C(=O)OInChIKey: JUUNPRGYFCIXSM-QGZVFWFLSA-NInChI: InChI=1S/C17H23NO4/c1-16(2,3)22-15(21)18-11-7-10-17(18,14(19)20)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)/t17-/m1/s1
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2-benzyl-3-ethoxy-3-oxopropanoic acidCas Number: 2985-39-9 Compound CID: 2884867Formula: C12H14O4 Molecular Weight: 222.24IUPAC Name: 2-benzyl-3-ethoxy-3-oxopropanoic acidSMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OInChIKey: KDDBSOXJYRJAGU-UHFFFAOYSA-NInChI: InChI=1S/C12H14O4/c1-2-16-12(15)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)
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(2R)-3-(4-fluorophenyl)-2-hydroxy-propanoic acidCas Number: 124980-94-5 Compound CID: 9899020IUPAC Name: (2R)-3-(4-fluorophenyl)-2-hydroxypropanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)O)FInChIKey: YZDVNWXOYGTHJO-MRVPVSSYSA-NInChI: InChI=1S/C9H9FO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m1/s1
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2-(tert-butoxycarbonylamino)-2-methyl-3-phenyl-propanoic acidCas Number: 86778-91-8Formula: C15H21NO4 Molecular Weight: 279.33IUPAC Name: 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acidSMILES: CC(C)(C)OC(=O)NC(C)(CC1=CC=CC=C1)C(=O)OInChIKey: FAXPKABRZLISKX-UHFFFAOYSA-NInChI: InChI=1S/C15H21NO4/c1-14(2,3)20-13(19)16-15(4,12(17)18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,19)(H,17,18)
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(2S)-3-(4-aminophenyl)-2-hydroxy-propanoic acidCas Number: 66592-67-4 Compound CID: 191811Formula: C9H11NO3 Molecular Weight: 181.19SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)O)NInChIKey: UZKSXWXNLHBMHW-QMMMGPOBSA-NInChI: InChI=1S/C9H11NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1











