(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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Related Compounds

4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
CID 62695160
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
CID 154170770
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7508192
butyl 4-[(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]-4-phenylmethoxybutanoyl]piperazine-1-carboxylate
CID 68599576
4-[(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]-4-phenylmethoxybutanoyl]piperazine-1-carboxylic acid
CID 141217874
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057

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).