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

C11H12N2O6 — CID 114038684

IUPAC(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCOC(=O)C[C@H](NC(=O)c1c[nH]ccc1=O)C(=O)O
InChIInChI=1S/C11H12N2O6/c1-19-9(15)4-7(11(17)18)13-10(16)6-5-12-3-2-8(6)14/h2-3,5,7H,4H2,1H3,(H,12,14)(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyFSLHQCPJYYWPLK-ZETCQYMHSA-N
MW268.23 g/mol
LogP-0.88
Rot. Bonds5

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

(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 114038684) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID114038684
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCOC(=O)C[C@H](NC(=O)c1c[nH]ccc1=O)C(=O)O
InChIInChI=1S/C11H12N2O6/c1-19-9(15)4-7(11(17)18)13-10(16)6-5-12-3-2-8(6)14/h2-3,5,7H,4H2,1H3,(H,12,14)(H,13,16)(H,17,18)/t7-/m0/s1
InChIKeyFSLHQCPJYYWPLK-ZETCQYMHSA-N
XLogP-0.88
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic 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

5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 114038720
(2S)-2-[(2,4-dihydroxybenzoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63303631
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
CID 142855999
3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 114038732
(2S)-2-[(2-bromo-5-methylbenzoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 81110663
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
(2S)-2-[(2-bromopyridine-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 114036704
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307372
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107820528
(2S)-4-amino-4-oxo-2-(1H-pyrrole-3-carbonylamino)butanoic acid
CID 110834824
(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
CID 63306864

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (CID 114038684) is (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is COC(=O)C[C@H](NC(=O)c1c[nH]ccc1=O)C(=O)O.
What is the InChIKey of (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is FSLHQCPJYYWPLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2O6/c1-19-9(15)4-7(11(17)18)13-10(16)6-5-12-3-2-8(6)14/h2-3,5,7H,4H2,1H3,(H,12,14)(H,13,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 268.23 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114038684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).