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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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(R)-3-AMINO-2-PHENYL-PROPIONIC ACIDCas Number: 1008-63-5 Compound CID: 10964866Formula: C9H11NO2 Molecular Weight: 165.19IUPAC Name: (2R)-3-amino-2-phenylpropanoic acidSMILES: C1=CC=C(C=C1)C(CN)C(=O)OInChIKey: LRCYAJZPDFSJPQ-QMMMGPOBSA-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-/m0/s1 -
(R)-3-Amino-2-benzylpropanoic acidCas Number: 183182-07-2 Compound CID: 10877716Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: (2R)-2-(aminomethyl)-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)CC(CN)C(=O)OInChIKey: DJYVEBBGKNAHKE-SECBINFHSA-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-/m1/s1
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(R)-2-(Aminomethyl)-4-methylpentanoic acid hydrochlorideCas Number: 132605-95-9 Compound CID: 56971761Formula: C7H16ClNO2 Molecular Weight: 181.66IUPAC Name: (2R)-2-(aminomethyl)-4-methylpentanoic acid;hydrochlorideSMILES: CC(C)CC(CN)C(=O)O.ClInChIKey: HZQWRYHUNMXMLF-FYZOBXCZSA-NInChI: InChI=1S/C7H15NO2.ClH/c1-5(2)3-6(4-8)7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H/t6-;/m1./s1
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(R)-3-Amino-2-benzylpropanoic acid hydrochlorideCas Number: 1276055-51-6 Compound CID: 56971759Formula: C10H14ClNO2 Molecular Weight: 215.67IUPAC Name: (2R)-2-(aminomethyl)-3-phenylpropanoic acid;hydrochlorideSMILES: C1=CC=C(C=C1)CC(CN)C(=O)O.ClInChIKey: HIYMCIGQCWOWJV-SBSPUUFOSA-NInChI: InChI=1S/C10H13NO2.ClH/c11-7-9(10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m1./s1
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(R)-2-(Aminomethyl)-4-methylpentanoic acidCas Number: 210345-89-4 Compound CID: 11355546Formula: C7H15NO2 Molecular Weight: 145.2IUPAC Name: (2R)-2-(aminomethyl)-4-methylpentanoic acidSMILES: CC(C)CC(CN)C(=O)OInChIKey: IAXQYBCPMFDMOJ-ZCFIWIBFSA-NInChI: InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
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(R)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochlorideCas Number: 331763-55-4 Compound CID: 24820298Formula: C10H13Cl2NO2 Molecular Weight: 250.12IUPAC Name: (3R)-3-amino-4-(3-chlorophenyl)butanoic acid;hydrochlorideSMILES: C1=CC(=CC(=C1)Cl)CC(CC(=O)O)N.ClInChIKey: MRFPEMYQUCEGDY-SBSPUUFOSA-NInChI: InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-2-7(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-(2，4，5-trifluorophenyl)butanoic acidCas Number: 936630-57-8 Compound CID: 7146283Formula: C10H10F3NO2 Molecular Weight: 233.19IUPAC Name: (3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acidSMILES: C1=C(C(=CC(=C1F)F)F)CC(CC(=O)O)NInChIKey: KEFQQJVYCWLKPL-ZCFIWIBFSA-NInChI: InChI=1S/C10H10F3NO2/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16/h2,4,6H,1,3,14H2,(H,15,16)/t6-/m1/s1
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(R)-3-Amino-4-(4-chlorophenyl)butanoic acidCas Number: 678969-21-6 Compound CID: 5706683Formula: C10H12ClNO2 Molecular Weight: 213.66IUPAC Name: (3R)-3-amino-4-(4-chlorophenyl)butanoic acidSMILES: C1=CC(=CC=C1CC(CC(=O)O)N)ClInChIKey: LCYHDQUYYVDIPY-SECBINFHSA-NInChI: InChI=1S/C10H12ClNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1
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(R)-3-Amino-3-(naphthalen-1-yl)propanoic acidCas Number: 775280-91-6 Compound CID: 6930817Formula: C13H13NO2 Molecular Weight: 215.25IUPAC Name: (3R)-3-amino-3-naphthalen-1-ylpropanoic acidSMILES: C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)NInChIKey: BIOQBKBTOAMMDG-GFCCVEGCSA-NInChI: InChI=1S/C13H13NO2/c14-12(8-13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
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tert-Butyl (3-amino-3-oxopropyl)carbamateCas Number: 65983-35-9 Compound CID: 15429099Formula: C8H16N2O3 Molecular Weight: 188.22IUPAC Name: tert-butyl N-(3-amino-3-oxopropyl)carbamateSMILES: CC(C)(C)OC(=O)NCCC(=O)NInChIKey: MYIHCTNHDMVMEQ-UHFFFAOYSA-NInChI: InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)10-5-4-6(9)11/h4-5H2,1-3H3,(H2,9,11)(H,10,12)
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N-Methyl-3-(methylamino)propanamideCas Number: 50836-82-3 Compound CID: 12548977Formula: C5H12N2O Molecular Weight: 116.16IUPAC Name: N-methyl-3-(methylamino)propanamideSMILES: CNCCC(=O)NCInChIKey: BZAGWSIKXFPLND-UHFFFAOYSA-NInChI: InChI=1S/C5H12N2O/c1-6-4-3-5(8)7-2/h6H,3-4H2,1-2H3,(H,7,8)
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Methyl3-amino-3-(4-chlorophenyl)propanoatehydrochlorideCas Number: 124082-19-5 Compound CID: 42614493Formula: C10H13Cl2NO2 Molecular Weight: 250.13IUPAC Name: methyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochlorideSMILES: COC(=O)CC(C1=CC=C(C=C1)Cl)N.ClInChIKey: CKHLTQXMMBPPQU-UHFFFAOYSA-NInChI: InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H
