2-methyl-3-(quinoline-6-carbonylamino)propanoic acid

C14H14N2O3 — CID 55126598

IUPAC2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-9(14(18)19)8-16-13(17)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyDOUIPWKHYHWDBE-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid

2-methyl-3-(quinoline-6-carbonylamino)propanoic acid (PubChem CID 55126598) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
PubChem CID55126598
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-9(14(18)19)8-16-13(17)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyDOUIPWKHYHWDBE-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-6-carboxamide
CID 106253497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid (CID 55126598) is 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid is CC(CNC(=O)c1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid?
The InChIKey is DOUIPWKHYHWDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(14(18)19)8-16-13(17)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid?
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(quinoline-6-carbonylamino)propanoic acid is sourced from PubChem (CID 55126598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).