2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid

C13H13N3O3 — CID 55115598

IUPAC2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H13N3O3/c1-16(8-12(17)18)13(19)15-10-6-9-4-2-3-5-11(9)14-7-10/h2-7H,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyCIGHHUSFLJWHKX-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.78
Rot. Bonds3

About 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid

2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid (PubChem CID 55115598) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
PubChem CID55115598
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H13N3O3/c1-16(8-12(17)18)13(19)15-10-6-9-4-2-3-5-11(9)14-7-10/h2-7H,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyCIGHHUSFLJWHKX-UHFFFAOYSA-N
XLogP1.78
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
methyl N-quinolin-3-ylcarbamate
CID 19697860
2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
CID 61329390
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
CID 18146512
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
6-[benzyl(methyl)amino]-N-quinolin-3-ylpyridine-3-carboxamide
CID 10451671
1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 11579880

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid (CID 55115598) is 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid is CN(CC(=O)O)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is CIGHHUSFLJWHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16(8-12(17)18)13(19)15-10-6-9-4-2-3-5-11(9)14-7-10/h2-7H,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid?
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 259.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 55115598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).