2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid

C15H16N2O3 — CID 103498293

IUPAC2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H16N2O3/c1-9(10(2)15(19)20)14(18)17-12-5-6-13-11(8-12)4-3-7-16-13/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJKANNJWLLDPTCQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.53
Rot. Bonds4

About 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid

2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid (PubChem CID 103498293) 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-6-ylamino)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
PubChem CID103498293
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H16N2O3/c1-9(10(2)15(19)20)14(18)17-12-5-6-13-11(8-12)4-3-7-16-13/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJKANNJWLLDPTCQ-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

(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
3-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid
CID 62636014
3-methyl-2-(quinolin-6-ylamino)butanoic acid
CID 82539325
N-quinolin-6-ylbenzamide
CID 833617
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide
CID 175483384
2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide
CID 50740349
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
CID 173104431
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid (CID 103498293) is 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid is CC(C(=O)O)C(C)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid?
The InChIKey is JKANNJWLLDPTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(10(2)15(19)20)14(18)17-12-5-6-13-11(8-12)4-3-7-16-13/h3-10H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid?
2,3-dimethyl-4-oxo-4-(quinolin-6-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-6-ylamino)butanoic acid is sourced from PubChem (CID 103498293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).