2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid

C12H14N2O3 — CID 82157084

IUPAC2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
SMILESCC1(C)Nc2ccccc2N(CC(=O)O)C1=O
InChIInChI=1S/C12H14N2O3/c1-12(2)11(17)14(7-10(15)16)9-6-4-3-5-8(9)13-12/h3-6,13H,7H2,1-2H3,(H,15,16)
InChIKeyRCINNNPPHFXYDZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.31
Rot. Bonds2

About 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid

2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid (PubChem CID 82157084) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
PubChem CID82157084
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
SMILESCC1(C)Nc2ccccc2N(CC(=O)O)C1=O
InChIInChI=1S/C12H14N2O3/c1-12(2)11(17)14(7-10(15)16)9-6-4-3-5-8(9)13-12/h3-6,13H,7H2,1-2H3,(H,15,16)
InChIKeyRCINNNPPHFXYDZ-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-prop-2-ynyl-4H-quinoxalin-2-one
CID 71692507
3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one
CID 82157117
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
1-(4-methoxybutyl)-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione
CID 104650470
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703955
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703952
2-(3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 119994276
1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095324
5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115094893

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid (CID 82157084) is 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid is CC1(C)Nc2ccccc2N(CC(=O)O)C1=O.
What is the InChIKey of 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid?
The InChIKey is RCINNNPPHFXYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2)11(17)14(7-10(15)16)9-6-4-3-5-8(9)13-12/h3-6,13H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid?
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid is sourced from PubChem (CID 82157084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).