4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid

C16H20N2O4 — CID 119204206

IUPAC4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H20N2O4/c1-16(2,8-7-14(20)21)18-15(22)11-3-5-12-10(9-11)4-6-13(19)17-12/h3,5,9H,4,6-8H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyACCPAIZHJCCQRE-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid

4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid (PubChem CID 119204206) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
PubChem CID119204206
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H20N2O4/c1-16(2,8-7-14(20)21)18-15(22)11-3-5-12-10(9-11)4-6-13(19)17-12/h3,5,9H,4,6-8H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyACCPAIZHJCCQRE-UHFFFAOYSA-N
XLogP1.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[3-(aminomethyl)pentan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119569730
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-4-methylpentanoic acid
CID 166426015
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
N-(4-methylpiperidin-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711737
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid (CID 119204206) is 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid?
The InChIKey is ACCPAIZHJCCQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,8-7-14(20)21)18-15(22)11-3-5-12-10(9-11)4-6-13(19)17-12/h3,5,9H,4,6-8H2,1-2H3,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid?
4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119204206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).