2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid

C13H16N2O3 — CID 82157004

IUPAC2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCC1Nc2ccccc2N(C(C)(C)C(=O)O)C1=O
InChIInChI=1S/C13H16N2O3/c1-8-11(16)15(13(2,3)12(17)18)10-7-5-4-6-9(10)14-8/h4-8,14H,1-3H3,(H,17,18)
InChIKeyVZPOAMOYLQXIDZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds2

About 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid

2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid (PubChem CID 82157004) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
PubChem CID82157004
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCC1Nc2ccccc2N(C(C)(C)C(=O)O)C1=O
InChIInChI=1S/C13H16N2O3/c1-8-11(16)15(13(2,3)12(17)18)10-7-5-4-6-9(10)14-8/h4-8,14H,1-3H3,(H,17,18)
InChIKeyVZPOAMOYLQXIDZ-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157309
3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82156979
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 4963344
N-(2,6-dimethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156922
2-(6-fluoro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82142781
2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 22064901
N-(4-ethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156918
3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole
CID 123440292
(5R)-3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione
CID 51983917
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157156
2-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 114992061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid (CID 82157004) is 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid is CC1Nc2ccccc2N(C(C)(C)C(=O)O)C1=O.
What is the InChIKey of 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The InChIKey is VZPOAMOYLQXIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-11(16)15(13(2,3)12(17)18)10-7-5-4-6-9(10)14-8/h4-8,14H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid is sourced from PubChem (CID 82157004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).