2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid

C15H20N2O4 — CID 119200094

IUPAC2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1cc2c([nH]c1=O)CCCC2)C(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)17(3)13(19)10-8-9-6-4-5-7-11(9)16-12(10)18/h8H,4-7H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyNRRCFVIOHDIVDG-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid (PubChem CID 119200094) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid
PubChem CID119200094
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1cc2c([nH]c1=O)CCCC2)C(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)17(3)13(19)10-8-9-6-4-5-7-11(9)16-12(10)18/h8H,4-7H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyNRRCFVIOHDIVDG-UHFFFAOYSA-N
XLogP1.19
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid (CID 119200094) is 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid is CN(C(=O)c1cc2c([nH]c1=O)CCCC2)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid?
The InChIKey is NRRCFVIOHDIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,14(20)21)17(3)13(19)10-8-9-6-4-5-7-11(9)16-12(10)18/h8H,4-7H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119200094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).