(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid

C11H12N2O6 — CID 63303459

IUPAC(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)c1ncccc1O)C(=O)O
InChIInChI=1S/C11H12N2O6/c1-19-8(15)5-6(11(17)18)13-10(16)9-7(14)3-2-4-12-9/h2-4,6,14H,5H2,1H3,(H,13,16)(H,17,18)/t6-/m0/s1
InChIKeyUKDQILWYOHGSKV-LURJTMIESA-N
MW268.23 g/mol
LogP-0.47
Rot. Bonds5

About (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 63303459) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
PubChem CID63303459
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)c1ncccc1O)C(=O)O
InChIInChI=1S/C11H12N2O6/c1-19-8(15)5-6(11(17)18)13-10(16)9-7(14)3-2-4-12-9/h2-4,6,14H,5H2,1H3,(H,13,16)(H,17,18)/t6-/m0/s1
InChIKeyUKDQILWYOHGSKV-LURJTMIESA-N
XLogP-0.47
TPSA125.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-bromopyridine-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 114036704
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 112734988
5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 82786990
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
CID 142855999
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
(2S)-4-methoxy-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid
CID 113439174
(2S)-2-[(2,4-dihydroxybenzoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63303631
(2S)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 80741011
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid (CID 63303459) is (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid is COC(=O)C[C@H](NC(=O)c1ncccc1O)C(=O)O.
What is the InChIKey of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is UKDQILWYOHGSKV-LURJTMIESA-N. The full InChI is InChI=1S/C11H12N2O6/c1-19-8(15)5-6(11(17)18)13-10(16)9-7(14)3-2-4-12-9/h2-4,6,14H,5H2,1H3,(H,13,16)(H,17,18)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 268.23 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63303459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).