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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-(4-HYDROXY-3-METHOXY-PHENYL)-DL-BETA-ALANINECas Number: 72076-93-8 Compound CID: 12096266Formula: C10H13NO4 Molecular Weight: 211.217IUPAC Name: 3-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acidSMILES: COC1=C(C=CC(=C1)C(CC(=O)O)N)OInChIKey: IGHHJKPPALHKMJ-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO4/c1-15-9-4-6(2-3-8(9)12)7(11)5-10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14) -
3-(4-Chlorophenyl)-3-(2-phenylacetamido)propanoic acidCas Number: 171002-19-0 Compound CID: 3683186IUPAC Name: 3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acidSMILES: C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C2=CC=C(C=C2)ClInChIKey: WHDVSHRTSIEYRK-UHFFFAOYSA-NInChI: InChI=1S/C17H16ClNO3/c18-14-8-6-13(7-9-14)15(11-17(21)22)19-16(20)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,19,20)(H,21,22)
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3-((4-Bromophenyl)amino)propanoic acidCas Number: 90561-83-4 Compound CID: 17244970Formula: C9H10BrNO2 Molecular Weight: 244.09IUPAC Name: 3-(4-bromoanilino)propanoic acidSMILES: C1=CC(=CC=C1NCCC(=O)O)BrInChIKey: MRQMMZRTPYMDPW-UHFFFAOYSA-NInChI: InChI=1S/C9H10BrNO2/c10-7-1-3-8(4-2-7)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
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3-((2-Methoxyphenyl)amino)propanoic acidCas Number: 3334-66-5 Compound CID: 2380514Formula: C10H13NO3 Molecular Weight: 195.21IUPAC Name: 3-(2-methoxyanilino)propanoic acidSMILES: COC1=CC=CC=C1NCCC(=O)OInChIKey: PQEUQSTVFNTQPB-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-8(9)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
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2-Phenyl-3-aminopropionic acid methyl esterCas Number: 99092-02-1 Compound CID: 3770624IUPAC Name: methyl 3-amino-2-phenylpropanoateSMILES: COC(=O)C(CN)C1=CC=CC=C1InChIKey: WSDDSIXJNPGPSI-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
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(S)-3-Amino-2-methylpropanoic acid hydrochlorideCas Number: 925704-45-6 Compound CID: 56971765Formula: C4H10ClNO2 Molecular Weight: 139.58IUPAC Name: (2S)-3-amino-2-methylpropanoic acid;hydrochlorideSMILES: CC(CN)C(=O)O.ClInChIKey: CGGBOMJVYQTWRN-DFWYDOINSA-NInChI: InChI=1S/C4H9NO2.ClH/c1-3(2-5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
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(S)-3-Aminohexanoic acidCas Number: 91298-66-7 Compound CID: 13326183Formula: C6H13NO2 Molecular Weight: 131.17IUPAC Name: (3S)-3-aminohexanoic acidSMILES: CCCC(CC(=O)O)NInChIKey: YIJFIIXHVSHQEN-YFKPBYRVSA-NInChI: InChI=1S/C6H13NO2/c1-2-3-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
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(S)-7-Amino-5-benzyl-4-oxo-5-azaspiro[2.4]heptaneCas Number: 144282-41-7 Compound CID: 11424478Formula: C13H16N2O Molecular Weight: 216.284IUPAC Name: (7S)-7-amino-5-benzyl-5-azaspiro[2.4]heptan-4-oneSMILES: C1CC12C(CN(C2=O)CC3=CC=CC=C3)NInChIKey: LHEHAUPMESDYCV-LLVKDONJSA-NInChI: InChI=1S/C13H16N2O/c14-11-9-15(12(16)13(11)6-7-13)8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2/t11-/m1/s1
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(S)-3-Amino-2-phenylpropanoic acidCas Number: 1076-51-3 Compound CID: 11062739Formula: C9H11NO2 Molecular Weight: 165.19IUPAC Name: (2S)-3-amino-2-phenylpropanoic acidSMILES: C1=CC=C(C=C1)C(CN)C(=O)OInChIKey: LRCYAJZPDFSJPQ-MRVPVSSYSA-NInChI: InChI=1S/C9H11NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
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(S)-3-Aminohexanedioic acidCas Number: 32908-48-8Formula: C6H11NO4 Molecular Weight: 161.16IUPAC Name: (3S)-3-aminohexanedioic acidSMILES: C(CC(=O)O)C(CC(=O)O)NInChIKey: XABCFXXGZPWJQP-BYPYZUCNSA-NInChI: InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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(S)-3-Amino-4，4-dimethylpentanoic acidCas Number: 367278-48-6Formula: C7H15NO2 Molecular Weight: 145.202IUPAC Name: (3S)-3-amino-4,4-dimethylpentanoic acidSMILES: CC(C)(C)C(CC(=O)O)NInChIKey: MIMSUZKTGRXZNZ-YFKPBYRVSA-NInChI: InChI=1S/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
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(S)-3-Amino-3-(m-tolyl)propanoic acidCas Number: 701907-44-0Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: (3S)-3-amino-3-(3-methylphenyl)propanoic acidSMILES: CC1=CC(=CC=C1)C(CC(=O)O)NInChIKey: HMLYKNGYKKJNLC-VIFPVBQESA-NInChI: InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
