4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid

C14H14N2O5 — CID 61244394

IUPAC4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O5/c17-6-5-10(14(20)21)16-13(19)11-7-12(18)8-3-1-2-4-9(8)15-11/h1-4,7,10,17H,5-6H2,(H,15,18)(H,16,19)(H,20,21)
InChIKeyNIICZPDESKGGPF-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.09
Rot. Bonds5

About 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid

4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid (PubChem CID 61244394) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
PubChem CID61244394
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O5/c17-6-5-10(14(20)21)16-13(19)11-7-12(18)8-3-1-2-4-9(8)15-11/h1-4,7,10,17H,5-6H2,(H,15,18)(H,16,19)(H,20,21)
InChIKeyNIICZPDESKGGPF-UHFFFAOYSA-N
XLogP0.09
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
CID 62695160
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 61244550
(2R)-4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 107822689
4-[(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]-4-phenylmethoxybutanoyl]piperazine-1-carboxylic acid
CID 141217874
(2R)-4-hydroxy-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]butanoic acid
CID 107822736
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
CID 103856696

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid (CID 61244394) is 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid is O=C(NC(CCO)C(=O)O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid?
The InChIKey is NIICZPDESKGGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c17-6-5-10(14(20)21)16-13(19)11-7-12(18)8-3-1-2-4-9(8)15-11/h1-4,7,10,17H,5-6H2,(H,15,18)(H,16,19)(H,20,21).
What are the key properties of 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid has a molecular weight of 290.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61244394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).