2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid

C15H16N2O3 — CID 103496081

IUPAC2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C15H16N2O3/c1-9(10(2)15(19)20)14(18)17-13-7-3-6-12-11(13)5-4-8-16-12/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGEKKBCCJPPLZGB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.53
Rot. Bonds4

About 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid

2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid (PubChem CID 103496081) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
PubChem CID103496081
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C15H16N2O3/c1-9(10(2)15(19)20)14(18)17-13-7-3-6-12-11(13)5-4-8-16-12/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGEKKBCCJPPLZGB-UHFFFAOYSA-N
XLogP2.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
methyl N-quinolin-5-ylcarbamate
CID 110734012
2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027514
2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
CID 52992860
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34319696
(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide
CID 17388517
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid (CID 103496081) is 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid is CC(C(=O)O)C(C)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid?
The InChIKey is GEKKBCCJPPLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(10(2)15(19)20)14(18)17-13-7-3-6-12-11(13)5-4-8-16-12/h3-10H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid?
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid is sourced from PubChem (CID 103496081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).