(2S)-2-(quinoline-2-carbonylamino)pentanoic acid

C15H16N2O3 — CID 107564261

IUPAC(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-2-5-13(15(19)20)17-14(18)12-9-8-10-6-3-4-7-11(10)16-12/h3-4,6-9,13H,2,5H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyYAMRLVZDKLGSJE-ZDUSSCGKSA-N
MW272.30 g/mol
LogP2.22
Rot. Bonds5

About (2S)-2-(quinoline-2-carbonylamino)pentanoic acid

(2S)-2-(quinoline-2-carbonylamino)pentanoic acid (PubChem CID 107564261) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-(quinoline-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
PubChem CID107564261
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-2-5-13(15(19)20)17-14(18)12-9-8-10-6-3-4-7-11(10)16-12/h3-4,6-9,13H,2,5H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyYAMRLVZDKLGSJE-ZDUSSCGKSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(quinoline-2-carbonylamino)pentanoic 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

2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide
CID 21297679
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
3-methyl-1-quinolin-2-ylhexan-1-one
CID 63222374
N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]quinoline-2-carboxamide
CID 51098462
2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoic acid
CID 43630934
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoline-2-carboxamide
CID 106355670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(quinoline-2-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(quinoline-2-carbonylamino)pentanoic acid (CID 107564261) is (2S)-2-(quinoline-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(quinoline-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(quinoline-2-carbonylamino)pentanoic acid is CCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)O.
What is the InChIKey of (2S)-2-(quinoline-2-carbonylamino)pentanoic acid?
The InChIKey is YAMRLVZDKLGSJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-5-13(15(19)20)17-14(18)12-9-8-10-6-3-4-7-11(10)16-12/h3-4,6-9,13H,2,5H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(quinoline-2-carbonylamino)pentanoic acid?
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(quinoline-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 107564261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).