(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid

C16H20N2O4 — CID 120615414

IUPAC(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-2-3-7-13(16(21)22)18-15(20)11-9-14(19)17-12-8-5-4-6-10(11)12/h4-6,8,11,13H,2-3,7,9H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t11?,13-/m0/s1
InChIKeyUGHIGRQGEQRNOC-YUZLPWPTSA-N
MW304.35 g/mol
LogP1.87
Rot. Bonds6

About (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid

(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid (PubChem CID 120615414) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid
PubChem CID120615414
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-2-3-7-13(16(21)22)18-15(20)11-9-14(19)17-12-8-5-4-6-10(11)12/h4-6,8,11,13H,2-3,7,9H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t11?,13-/m0/s1
InChIKeyUGHIGRQGEQRNOC-YUZLPWPTSA-N
XLogP1.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid (CID 120615414) is (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)C1CC(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid?
The InChIKey is UGHIGRQGEQRNOC-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-3-7-13(16(21)22)18-15(20)11-9-14(19)17-12-8-5-4-6-10(11)12/h4-6,8,11,13H,2-3,7,9H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid?
(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120615414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).