General Information of the Compound
| Compound ID |
CP0453786
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| Compound Name |
CHEBI:16414
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| Synonyms |
(2S)-2-amino-3-methylbutanoic acid
(S)-2-Amino-3-methylbutanoic acid
(S)-2-Amino-3-methylbutyric acid
(S)-Valine
(S)-alpha-Amino-beta-methylbutyric acid
2-Amino-3-methylbutanoic acid, (S)-
2-Amino-3-methylbutyric acid
2-Amino-3-methylbutyric acid, (S)-
72-18-4
Butanoic acid, 2-amino-3-methyl-
Butanoic acid, 2-amino-3-methyl-, (S)-
H-Val-OH
L(+)-alpha-Aminoisovaleric acid
L-alpha-Amino-beta-methylbutyric acid
L-valin
L-valine
VALINE, L-
Valina [Spanish]
Valine (VAN)
Valine [USAN:INN]
Valinum [Latin]
valine
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| Structure |
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| Formula |
C5H11NO2
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| Molecular Weight |
117.148
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| Canonical SMILES |
CC(C)[C@H](N)C(O)=O
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| InChI |
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
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| InChIKey |
KZSNJWFQEVHDMF-BYPYZUCNSA-N
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| CAS |
16872-32-5
7004-03-7
25609-85-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( L-valine )
| Drug Name | L-valine | ||
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