2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

C12H10N2O4 — CID 66951790

IUPAC2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H10N2O4/c15-10(16)6-13-11(17)8-5-7-3-1-2-4-9(7)14-12(8)18/h1-5H,6H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyYHHBITBJBQQSNX-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.34
Rot. Bonds3

About 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (PubChem CID 66951790) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
PubChem CID66951790
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H10N2O4/c15-10(16)6-13-11(17)8-5-7-3-1-2-4-9(7)14-12(8)18/h1-5H,6H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyYHHBITBJBQQSNX-UHFFFAOYSA-N
XLogP0.34
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
CID 122126262
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 86287174
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (CID 66951790) is 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The InChIKey is YHHBITBJBQQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-10(16)6-13-11(17)8-5-7-3-1-2-4-9(7)14-12(8)18/h1-5H,6H2,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid has a molecular weight of 246.22 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 66951790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).