2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid

C9H15NO3 — CID 23566494

IUPAC2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid
SMILESCC1C(=O)N(C(C)(C)C(=O)O)C1C
InChIInChI=1S/C9H15NO3/c1-5-6(2)10(7(5)11)9(3,4)8(12)13/h5-6H,1-4H3,(H,12,13)
InChIKeyMLDGGNPIWAZABZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid

2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid (PubChem CID 23566494) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid
PubChem CID23566494
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid
SMILESCC1C(=O)N(C(C)(C)C(=O)O)C1C
InChIInChI=1S/C9H15NO3/c1-5-6(2)10(7(5)11)9(3,4)8(12)13/h5-6H,1-4H3,(H,12,13)
InChIKeyMLDGGNPIWAZABZ-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-2-(N-methylacetamido)butanoic acid
CID 15640236
N-Acetyl-N-methyl-L-valine
CID 45122376
N-malonylleucine
CID 17994683
Bromisovalerylalanin
CID 129643398
Isobutyl 2-oxoazetidine-4-carboxylic acid
CID 129712532
N-malonyl-d-leucine
CID 129722873
2-(2-Oxoazetidin-1-yl)propanoic acid
CID 19382619
1-(3-Carboxy-2-methylpropanoyl)azetidine-2-carboxylic acid
CID 21319454
Methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate
CID 23566499
2-(2-Oxoazetidin-1-yl)pentanoic acid
CID 53904847
1,3-Dimethyl-4-oxoazetidine-2-carboxylic acid
CID 54351858
(2S)-2-[methyl(3-methylbutanoyl)amino]propanoic acid
CID 54409008

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid (CID 23566494) is 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid is CC1C(=O)N(C(C)(C)C(=O)O)C1C.
What is the InChIKey of 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid?
The InChIKey is MLDGGNPIWAZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-6(2)10(7(5)11)9(3,4)8(12)13/h5-6H,1-4H3,(H,12,13).
What are the key properties of 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid?
2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 23566494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).