4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid

C14H13NO6 — CID 61244550

IUPAC4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H13NO6/c16-6-5-9(14(19)20)15-13(18)12-7-10(17)8-3-1-2-4-11(8)21-12/h1-4,7,9,16H,5-6H2,(H,15,18)(H,19,20)
InChIKeyPNMVVSYDHBUEMJ-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.36
Rot. Bonds5

About 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid

4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid (PubChem CID 61244550) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
PubChem CID61244550
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H13NO6/c16-6-5-9(14(19)20)15-13(18)12-7-10(17)8-3-1-2-4-11(8)21-12/h1-4,7,9,16H,5-6H2,(H,15,18)(H,19,20)
InChIKeyPNMVVSYDHBUEMJ-UHFFFAOYSA-N
XLogP0.36
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 107822689
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 107822987
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
CID 61246614
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394
N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide
CID 86925625
diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
CID 2374163
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
2-(1-benzofuran-2-carbonylamino)-4-methylsulfanylbutanoic acid
CID 24709322
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid (CID 61244550) is 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid is O=C(NC(CCO)C(=O)O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid?
The InChIKey is PNMVVSYDHBUEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c16-6-5-9(14(19)20)15-13(18)12-7-10(17)8-3-1-2-4-11(8)21-12/h1-4,7,9,16H,5-6H2,(H,15,18)(H,19,20).
What are the key properties of 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid has a molecular weight of 291.26 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61244550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).