2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid

C15H18N2O4 — CID 119187860

IUPAC2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(20)21)16-12(18)9-17-11-6-4-3-5-10(11)7-8-13(17)19/h3-6H,7-9H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyHJYGUWXMIXPZEL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.95
Rot. Bonds4

About 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid

2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid (PubChem CID 119187860) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
PubChem CID119187860
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(20)21)16-12(18)9-17-11-6-4-3-5-10(11)7-8-13(17)19/h3-6H,7-9H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyHJYGUWXMIXPZEL-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 110002443
2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119200753
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119212127
cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677529
(E)-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]hex-4-enoic acid
CID 120694245
2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119187853
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
N-(3-methylsulfanylphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548644
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
CID 50758002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid (CID 119187860) is 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid is CC(C)(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is HJYGUWXMIXPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,14(20)21)16-12(18)9-17-11-6-4-3-5-10(11)7-8-13(17)19/h3-6H,7-9H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119187860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).