2-(quinoline-6-carbonylamino)pentanoic acid

C15H16N2O3 — CID 62849349

IUPAC2-(quinoline-6-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-2-4-13(15(19)20)17-14(18)11-6-7-12-10(9-11)5-3-8-16-12/h3,5-9,13H,2,4H2,1H3,(H,17,18)(H,19,20)
InChIKeyLOJFAUPGEAMAMC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.22
Rot. Bonds5

About 2-(quinoline-6-carbonylamino)pentanoic acid

2-(quinoline-6-carbonylamino)pentanoic acid (PubChem CID 62849349) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(quinoline-6-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(quinoline-6-carbonylamino)pentanoic acid
PubChem CID62849349
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(quinoline-6-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-2-4-13(15(19)20)17-14(18)11-6-7-12-10(9-11)5-3-8-16-12/h3,5-9,13H,2,4H2,1H3,(H,17,18)(H,19,20)
InChIKeyLOJFAUPGEAMAMC-UHFFFAOYSA-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

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Related Compounds

2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
(2S)-2-(quinoline-6-carbonylamino)butanediamide
CID 70062244
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 142776250
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111

Frequently Asked Questions

What is the IUPAC name of 2-(quinoline-6-carbonylamino)pentanoic acid?
The IUPAC name of 2-(quinoline-6-carbonylamino)pentanoic acid (CID 62849349) is 2-(quinoline-6-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(quinoline-6-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(quinoline-6-carbonylamino)pentanoic acid is CCCC(NC(=O)c1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 2-(quinoline-6-carbonylamino)pentanoic acid?
The InChIKey is LOJFAUPGEAMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-4-13(15(19)20)17-14(18)11-6-7-12-10(9-11)5-3-8-16-12/h3,5-9,13H,2,4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(quinoline-6-carbonylamino)pentanoic acid?
2-(quinoline-6-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 2-(quinoline-6-carbonylamino)pentanoic acid is sourced from PubChem (CID 62849349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).