3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid

C17H20N2O4 — CID 120532420

IUPAC3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-3-17(4-2,10-15(21)22)19-16(23)12-9-14(20)18-13-8-6-5-7-11(12)13/h5-9H,3-4,10H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyVJVHCTSXSDYPQT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.29
Rot. Bonds6

About 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid

3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid (PubChem CID 120532420) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
PubChem CID120532420
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H20N2O4/c1-3-17(4-2,10-15(21)22)19-16(23)12-9-14(20)18-13-8-6-5-7-11(12)13/h5-9H,3-4,10H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyVJVHCTSXSDYPQT-UHFFFAOYSA-N
XLogP2.29
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 62517694
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid (CID 120532420) is 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid is CCC(CC)(CC(=O)O)NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
The InChIKey is VJVHCTSXSDYPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-17(4-2,10-15(21)22)19-16(23)12-9-14(20)18-13-8-6-5-7-11(12)13/h5-9H,3-4,10H2,1-2H3,(H,18,20)(H,19,23)(H,21,22).
What are the key properties of 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120532420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).