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Beta amino acids and derivatives
Description:
Amino acids having a (-NH2) group attached to the beta carbon atom.
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3-Aminohexanoic acidCas Number: 58521-63-4 Compound CID: 5275645Formula: C6H13NO2 Molecular Weight: 131.18IUPAC Name: 3-aminohexanoic acidSMILES: CCCC(CC(=O)O)NInChIKey: YIJFIIXHVSHQEN-UHFFFAOYSA-NInChI: InChI=1S/C6H13NO2/c1-2-3-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9) -
3-Amino-3-methyl-1-pyrrolidino-1-butanone HydrochlorideCas Number: 1246471-46-4 Compound CID: 53393251Formula: C9H19ClN2O Molecular Weight: 206.71IUPAC Name: 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;hydrochlorideSMILES: CC(C)(CC(=O)N1CCCC1)N.ClInChIKey: LUYDDQWQWVQIEN-UHFFFAOYSA-NInChI: InChI=1S/C9H18N2O.ClH/c1-9(2,10)7-8(12)11-5-3-4-6-11;/h3-7,10H2,1-2H3;1H
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3-Amino-3-(4-methoxy-3-methylphenyl)propanoicacidCas Number: 54503-17-2 Compound CID: 3135582Formula: C11H15NO3 Molecular Weight: 209.25IUPAC Name: 3-amino-3-(4-methoxy-3-methylphenyl)propanoic acidSMILES: CC1=C(C=CC(=C1)C(CC(=O)O)N)OCInChIKey: CFXUSSDPPUMXQG-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO3/c1-7-5-8(3-4-10(7)15-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)
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3-Amino-3-(4-cyanophenyl)propanoic acidCas Number: 80971-95-5Formula: C10H10N2O2 Molecular Weight: 190.20IUPAC Name: 3-amino-3-(4-cyanophenyl)propanoic acidSMILES: C1=CC(=CC=C1C#N)C(CC(=O)O)NInChIKey: JFPLLJRLBHIJPS-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-4,9H,5,12H2,(H,13,14)
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3-Amino-3-(2，4-dihydroxyphenyl)propanoic AcidCas Number: 682804-10-0 Compound CID: 16641992Formula: C9H11NO4 Molecular Weight: 197.19IUPAC Name: 3-amino-3-(2,4-dihydroxyphenyl)propanoic acidSMILES: C1=CC(=C(C=C1O)O)C(CC(=O)O)NInChIKey: SLASMFLPYYVGRW-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO4/c10-7(4-9(13)14)6-2-1-5(11)3-8(6)12/h1-3,7,11-12H,4,10H2,(H,13,14)
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3-Amino-3-(1-Boc-4-piperidyl)propanoic AcidCas Number: 372144-02-0 Compound CID: 22309330Formula: C13H24N2O4 Molecular Weight: 272.34IUPAC Name: 3-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acidSMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(CC(=O)O)NInChIKey: COIKOWZPIUVFDC-UHFFFAOYSA-NInChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-6-4-9(5-7-15)10(14)8-11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17)
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3-Amino-3-[2-(trifluoromethyl)phenyl]propionic AcidCas Number: 299165-24-5 Compound CID: 5146563Formula: C10H10F3NO2 Molecular Weight: 233.19IUPAC Name: 3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acidSMILES: C1=CC=C(C(=C1)C(CC(=O)O)N)C(F)(F)FInChIKey: MXKROQQTKYAUJB-UHFFFAOYSA-NInChI: InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)
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3-Amino-2，2-difluoropropanoic acid hydrochlorideCas Number: 1159825-06-5 Compound CID: 50998843Formula: C3H6ClF2NO2 Molecular Weight: 161.53IUPAC Name: 3-amino-2,2-difluoropropanoic acid;hydrochlorideSMILES: C(C(C(=O)O)(F)F)N.ClInChIKey: YYNGRYXSTNHZQA-UHFFFAOYSA-NInChI: InChI=1S/C3H5F2NO2.ClH/c4-3(5,1-6)2(7)8;/h1,6H2,(H,7,8);1H
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3-Amino-1-(pyrrolidin-1-yl)propan-1-one hydrochlorideCas Number: 670253-59-5 Compound CID: 21949222Formula: C7H15ClN2O Molecular Weight: 178.66IUPAC Name: 3-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochlorideSMILES: C1CCN(C1)C(=O)CCN.ClInChIKey: CFTPINJPOZAGCI-UHFFFAOYSA-NInChI: InChI=1S/C7H14N2O.ClH/c8-4-3-7(10)9-5-1-2-6-9;/h1-6,8H2;1H
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3-Acetamido-3-(4-fluorophenyl)propanoic acidCas Number: 332052-58-1 Compound CID: 3121001Formula: C11H12NO3F Molecular Weight: 225.21IUPAC Name: 3-acetamido-3-(4-fluorophenyl)propanoic acidSMILES: CC(=O)NC(CC(=O)O)C1=CC=C(C=C1)FInChIKey: AKOVXMLBDXLGSK-UHFFFAOYSA-NInChI: InChI=1S/C11H12FNO3/c1-7(14)13-10(6-11(15)16)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
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3-(Benzylamino)-3-methylbutanoic AcidCas Number: 113479-11-1 Compound CID: 11138284Formula: C12H17NO2 Molecular Weight: 207.27IUPAC Name: 3-(benzylamino)-3-methylbutanoic acidSMILES: CC(C)(CC(=O)O)NCC1=CC=CC=C1InChIKey: DHXNGBMVPJHMBV-UHFFFAOYSA-NInChI: InChI=1S/C12H17NO2/c1-12(2,8-11(14)15)13-9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H,14,15)
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3-(1H-pyrrole-2-carboxamido)propanoic acidCas Number: 129053-84-5 Compound CID: 15852252Formula: C8H10N2O3 Molecular Weight: 182.18IUPAC Name: 3-(1H-pyrrole-2-carbonylamino)propanoic acidSMILES: C1=CNC(=C1)C(=O)NCCC(=O)OInChIKey: WRPNGIQRAJOIRC-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2O3/c11-7(12)3-5-10-8(13)6-2-1-4-9-6/h1-2,4,9H,3,5H2,(H,10,13)(H,11,12)
