(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid

C15H16N2O4 — CID 107564052

IUPAC(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-2-5-11(15(20)21)17-14(19)12-8-13(18)9-6-3-4-7-10(9)16-12/h3-4,6-8,11H,2,5H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChIKeyYQBRICARJSVRPM-NSHDSACASA-N
MW288.30 g/mol
LogP1.51
Rot. Bonds5

About (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid

(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid (PubChem CID 107564052) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
PubChem CID107564052
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-2-5-11(15(20)21)17-14(19)12-8-13(18)9-6-3-4-7-10(9)16-12/h3-4,6-8,11H,2,5H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChIKeyYQBRICARJSVRPM-NSHDSACASA-N
XLogP1.51
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid (CID 107564052) is (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid?
The InChIKey is YQBRICARJSVRPM-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-5-11(15(20)21)17-14(19)12-8-13(18)9-6-3-4-7-10(9)16-12/h3-4,6-8,11H,2,5H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid?
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).