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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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(S)-3-Amino-3-(2,3-dichlorophenyl)propanoic acidCas Number: 748128-13-4 Compound CID: 7015500Formula: C9H9NO2Cl2 Molecular Weight: 234.07IUPAC Name: (3S)-3-amino-3-(2,3-dichlorophenyl)propanoic acidSMILES: C1=CC(=C(C(=C1)Cl)Cl)C(CC(=O)O)NInChIKey: GQKLESLYMHWBOP-ZETCQYMHSA-NInChI: InChI=1S/C9H9Cl2NO2/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m0/s1 -
(S)-3-amino-2-benzylpropanoic acidCas Number: 131683-27-7 Compound CID: 11252327Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: (2S)-2-(aminomethyl)-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)CC(CN)C(=O)OInChIKey: DJYVEBBGKNAHKE-VIFPVBQESA-NInChI: InChI=1S/C10H13NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
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(S)-3-AMINO-3-(2-METHOXY-PHENYL)-PROPIONIC ACIDCas Number: 720662-28-2 Compound CID: 7015496Formula: C10H13NO3 Molecular Weight: 195.21IUPAC Name: (3S)-3-amino-3-(2-methoxyphenyl)propanoic acidSMILES: COC1=CC=CC=C1C(CC(=O)O)NInChIKey: UAZGIQATDPCZHH-QMMMGPOBSA-NInChI: InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1
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(R)-tert-Butyl 3-aminobutanoateCas Number: 158849-23-1 Compound CID: 2733826Formula: C8H17NO2 Molecular Weight: 159.23IUPAC Name: tert-butyl (3R)-3-aminobutanoateSMILES: CC(CC(=O)OC(C)(C)C)NInChIKey: BFFNZGWJTHWUMY-ZCFIWIBFSA-NInChI: InChI=1S/C8H17NO2/c1-6(9)5-7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1
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(R)-3-Amino-4-phenylbutanoic acidCas Number: 131270-08-1 Compound CID: 5706674Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: (3R)-3-amino-4-phenylbutanoic acidSMILES: C1=CC=C(C=C1)CC(CC(=O)O)NInChIKey: OFVBLKINTLPEGH-SECBINFHSA-NInChI: InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
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(R)-3-Amino-4-(4-bromophenyl)butanoic acid hydrochlorideCas Number: 331763-73-6 Compound CID: 45026878Formula: C10H13BrClNO2 Molecular Weight: 294.58IUPAC Name: (3R)-3-amino-4-(4-bromophenyl)butanoic acid;hydrochlorideSMILES: C1=CC(=CC=C1CC(CC(=O)O)N)Br.ClInChIKey: QMUGXLUXLGZZSC-SBSPUUFOSA-NInChI: InChI=1S/C10H12BrNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1
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(R)-3-Amino-4-(o-tolyl)butanoic acidCas Number: 269398-79-0 Compound CID: 24820268Formula: C11H16ClNO2 Molecular Weight: 229.7IUPAC Name: (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochlorideSMILES: CC1=CC=CC=C1CC(CC(=O)O)N.ClInChIKey: WQUTWBVBKSYCPR-HNCPQSOCSA-NInChI: InChI=1S/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
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(R)-3-Amino-4-(4-fluorophenyl)butanoic acid hydrochlorideCas Number: 331763-69-0 Compound CID: 45026876IUPAC Name: (3R)-3-amino-4-(4-fluorophenyl)butanoic acid;hydrochlorideSMILES: C1=CC(=CC=C1CC(CC(=O)O)N)F.ClInChIKey: QCJJUEQWIMCTAA-SBSPUUFOSA-NInChI: InChI=1S/C10H12FNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1
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(R)-2-(Aminomethyl)-3-methylbutanoic acidCas Number: 210345-86-1 Compound CID: 11018900Formula: C6H13NO2 Molecular Weight: 131.17IUPAC Name: (2R)-2-(aminomethyl)-3-methylbutanoic acidSMILES: CC(C)C(CN)C(=O)OInChIKey: UUQYMNPVPQLPID-YFKPBYRVSA-NInChI: InChI=1S/C6H13NO2/c1-4(2)5(3-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
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(R)-3-Amino-4-(naphthalen-2-yl)butanoic acid hydrochlorideCas Number: 331847-02-0 Compound CID: 24820271Formula: C14H16ClNO2 Molecular Weight: 265.73IUPAC Name: (3R)-3-amino-4-naphthalen-2-ylbutanoic acid;hydrochlorideSMILES: C1=CC=C2C=C(C=CC2=C1)CC(CC(=O)O)N.ClInChIKey: BWSJJEOZKOCDCT-BTQNPOSSSA-NInChI: InChI=1S/C14H15NO2.ClH/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10;/h1-7,13H,8-9,15H2,(H,16,17);1H/t13-;/m1./s1
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(R)-3-Amino-4-(4-chlorophenyl)butanoic acid hydrochlorideCas Number: 331763-59-8 Compound CID: 45026873Formula: C10H13Cl2NO2 Molecular Weight: 250.12IUPAC Name: (3R)-3-amino-4-(4-chlorophenyl)butanoic acid;hydrochlorideSMILES: C1=CC(=CC=C1CC(CC(=O)O)N)Cl.ClInChIKey: PUVXCDYJZZWKMH-SBSPUUFOSA-NInChI: InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1
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(R)-3-Amino-3-(2-fluorophenyl)propanoic acidCas Number: 151911-22-7Formula: C9H10FNO2 Molecular Weight: 183.18IUPAC Name: (3R)-3-amino-3-(2-fluorophenyl)propanoic acidSMILES: C1=CC=C(C(=C1)C(CC(=O)O)N)FInChIKey: RSCLTSJQAQBNCE-MRVPVSSYSA-NInChI: InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
