3-methylazetidine-2-carboxylic acid

C5H9NO2 — CID 22326246

IUPAC3-methylazetidine-2-carboxylic acid
SMILESCC1CNC1C(=O)O
InChIInChI=1S/C5H9NO2/c1-3-2-6-4(3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyWDWMCQMMMOWQAP-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.32
Rot. Bonds1

About 3-methylazetidine-2-carboxylic acid

3-methylazetidine-2-carboxylic acid (PubChem CID 22326246) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methylazetidine-2-carboxylic acid
PubChem CID22326246
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-methylazetidine-2-carboxylic acid
SMILESCC1CNC1C(=O)O
InChIInChI=1S/C5H9NO2/c1-3-2-6-4(3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyWDWMCQMMMOWQAP-UHFFFAOYSA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methylazetidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
(2S,3S,4R,5R)-3,5-dihydroxy-4-methylpiperidine-2-carboxylic acid
CID 163596404
(2S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91535472
3-aminoazetidine-2-carboxylic acid
CID 23504294
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
CID 163342230
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 12851885
(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692
2-methylazetidine-3-carboxylic acid
CID 21293290
3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 155895517
(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid
CID 68541802

Frequently Asked Questions

What is the IUPAC name of 3-methylazetidine-2-carboxylic acid?
The IUPAC name of 3-methylazetidine-2-carboxylic acid (CID 22326246) is 3-methylazetidine-2-carboxylic acid.
What is the SMILES notation for 3-methylazetidine-2-carboxylic acid?
The canonical SMILES for 3-methylazetidine-2-carboxylic acid is CC1CNC1C(=O)O.
What is the InChIKey of 3-methylazetidine-2-carboxylic acid?
The InChIKey is WDWMCQMMMOWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-2-6-4(3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8).
What are the key properties of 3-methylazetidine-2-carboxylic acid?
3-methylazetidine-2-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 22326246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).