2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid

C14H13NO5 — CID 62675118

IUPAC2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)c1cc(=O)c2ccccc2o1)C(=O)O
InChIInChI=1S/C14H13NO5/c1-8(14(18)19)7-15-13(17)12-6-10(16)9-4-2-3-5-11(9)20-12/h2-6,8H,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyWFUOIGFHGFNHQM-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid

2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid (PubChem CID 62675118) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
PubChem CID62675118
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)c1cc(=O)c2ccccc2o1)C(=O)O
InChIInChI=1S/C14H13NO5/c1-8(14(18)19)7-15-13(17)12-6-10(16)9-4-2-3-5-11(9)20-12/h2-6,8H,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyWFUOIGFHGFNHQM-UHFFFAOYSA-N
XLogP1.24
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic 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

N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 93486038
4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 61244550
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
(2R)-4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 107822689
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 90598011
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
CID 71780311
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
CID 103713082
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449223

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid (CID 62675118) is 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid is CC(CNC(=O)c1cc(=O)c2ccccc2o1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid?
The InChIKey is WFUOIGFHGFNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-8(14(18)19)7-15-13(17)12-6-10(16)9-4-2-3-5-11(9)20-12/h2-6,8H,7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62675118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).