methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate

C13H23NO2 — CID 115247275

IUPACmethyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN(C)C2CCCC2)CCC1
InChIInChI=1S/C13H23NO2/c1-14(11-6-3-4-7-11)10-13(8-5-9-13)12(15)16-2/h11H,3-10H2,1-2H3
InChIKeyCYLVEKRGLYCUQW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds4

About methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate

methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate (PubChem CID 115247275) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate
PubChem CID115247275
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN(C)C2CCCC2)CCC1
InChIInChI=1S/C13H23NO2/c1-14(11-6-3-4-7-11)10-13(8-5-9-13)12(15)16-2/h11H,3-10H2,1-2H3
InChIKeyCYLVEKRGLYCUQW-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate (CID 115247275) is methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate is COC(=O)C1(CN(C)C2CCCC2)CCC1.
What is the InChIKey of methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate?
The InChIKey is CYLVEKRGLYCUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(11-6-3-4-7-11)10-13(8-5-9-13)12(15)16-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate?
methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[cyclopentyl(methyl)amino]methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 115247275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).