3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid

C13H12N2O4 — CID 110489479

IUPAC3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O4/c16-7-11(13(18)19)15-12(17)9-5-8-3-1-2-4-10(8)14-6-9/h1-6,11,16H,7H2,(H,15,17)(H,18,19)
InChIKeyCMMRUCVQTMESLV-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.41
Rot. Bonds4

About 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid

3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid (PubChem CID 110489479) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
PubChem CID110489479
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O4/c16-7-11(13(18)19)15-12(17)9-5-8-3-1-2-4-10(8)14-6-9/h1-6,11,16H,7H2,(H,15,17)(H,18,19)
InChIKeyCMMRUCVQTMESLV-UHFFFAOYSA-N
XLogP0.41
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 6724022
N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
CID 155104929
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489508
4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
CID 71515447
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid (CID 110489479) is 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid is O=C(NC(CO)C(=O)O)c1cnc2ccccc2c1.
What is the InChIKey of 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid?
The InChIKey is CMMRUCVQTMESLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-7-11(13(18)19)15-12(17)9-5-8-3-1-2-4-10(8)14-6-9/h1-6,11,16H,7H2,(H,15,17)(H,18,19).
What are the key properties of 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid?
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid has a molecular weight of 260.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid is sourced from PubChem (CID 110489479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).