(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

C11H14N2O5 — CID 114004919

IUPAC(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)N[C@@H](CCO)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O5/c1-6-2-3-7(9(15)12-6)10(16)13-8(4-5-14)11(17)18/h2-3,8,14H,4-5H2,1H3,(H,12,15)(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyWSJZWQGYSCTMEA-QMMMGPOBSA-N
MW254.24 g/mol
LogP-0.75
Rot. Bonds5

About (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 114004919) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID114004919
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)N[C@@H](CCO)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O5/c1-6-2-3-7(9(15)12-6)10(16)13-8(4-5-14)11(17)18/h2-3,8,14H,4-5H2,1H3,(H,12,15)(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyWSJZWQGYSCTMEA-QMMMGPOBSA-N
XLogP-0.75
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820927
3-(1H-imidazol-5-yl)-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 104772661
(2R)-3-(1H-imidazol-5-yl)-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 104894236
N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97005058
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113384178
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103798972
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2S)-4-hydroxy-2-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 107822093
(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 107823187

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (CID 114004919) is (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is Cc1ccc(C(=O)N[C@@H](CCO)C(=O)O)c(=O)[nH]1.
What is the InChIKey of (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is WSJZWQGYSCTMEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6-2-3-7(9(15)12-6)10(16)13-8(4-5-14)11(17)18/h2-3,8,14H,4-5H2,1H3,(H,12,15)(H,13,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 254.24 g/mol, XLogP of -0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114004919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).