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

C15H18N2O4 — CID 119199156

IUPAC2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-3-15(2,14(20)21)17-13(19)10-8-12(18)16-11-7-5-4-6-9(10)11/h4-7,10H,3,8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCFTHPQIWXGQLTP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.48
Rot. Bonds4

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

2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid (PubChem CID 119199156) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid
PubChem CID119199156
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-3-15(2,14(20)21)17-13(19)10-8-12(18)16-11-7-5-4-6-9(10)11/h4-7,10H,3,8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCFTHPQIWXGQLTP-UHFFFAOYSA-N
XLogP1.48
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid (CID 119199156) is 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)C1CC(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid?
The InChIKey is CFTHPQIWXGQLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-15(2,14(20)21)17-13(19)10-8-12(18)16-11-7-5-4-6-9(10)11/h4-7,10H,3,8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid?
2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119199156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).