1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid

C12H21NO2 — CID 65071889

IUPAC1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid
SMILESCC1CCCC(N2CC(C(=O)O)C2)C1C
InChIInChI=1S/C12H21NO2/c1-8-4-3-5-11(9(8)2)13-6-10(7-13)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyRAYAVCRKJIGICX-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds2

About 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid

1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid (PubChem CID 65071889) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid
PubChem CID65071889
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid
SMILESCC1CCCC(N2CC(C(=O)O)C2)C1C
InChIInChI=1S/C12H21NO2/c1-8-4-3-5-11(9(8)2)13-6-10(7-13)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyRAYAVCRKJIGICX-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylcyclohexyl)azetidine-3-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

1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65072053
2-(2,3-dimethylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895767
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721763
1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid
CID 64920899
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane
CID 64942536
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
4-(2-methylcyclopentyl)morpholine-2-carboxylic acid
CID 65067428
1-[(2-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55013515
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 82857025
13-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 124818032

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid (CID 65071889) is 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid is CC1CCCC(N2CC(C(=O)O)C2)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid?
The InChIKey is RAYAVCRKJIGICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8-4-3-5-11(9(8)2)13-6-10(7-13)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid?
1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 65071889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).