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

C15H18N2O4 — CID 119228113

IUPAC2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(15(20)21)8-17(2)14(19)11-7-13(18)16-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyNPBPXPYCHBIMMG-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.29
Rot. Bonds4

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

2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid (PubChem CID 119228113) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
PubChem CID119228113
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(15(20)21)8-17(2)14(19)11-7-13(18)16-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyNPBPXPYCHBIMMG-UHFFFAOYSA-N
XLogP1.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid (CID 119228113) is 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid is CC(CN(C)C(=O)C1CC(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is NPBPXPYCHBIMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(15(20)21)8-17(2)14(19)11-7-13(18)16-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119228113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).