3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid

C13H23NO2 — CID 117042998

IUPAC3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C1CC(C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-14(9-10-5-3-2-4-6-10)12-7-11(8-12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyAYGLNPLYSDUCNB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds4

About 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid

3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 117042998) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
PubChem CID117042998
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C1CC(C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-14(9-10-5-3-2-4-6-10)12-7-11(8-12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyAYGLNPLYSDUCNB-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-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

4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid
CID 22047732
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
CID 79643663
1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
CID 79618494
3-[cyclopropylmethyl(methyl)amino]cyclobutan-1-ol;hydrochloride
CID 146675794
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid (CID 117042998) is 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid is CN(CC1CCCCC1)C1CC(C(=O)O)C1.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is AYGLNPLYSDUCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(9-10-5-3-2-4-6-10)12-7-11(8-12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid?
3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117042998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).