methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate

C12H21NO3 — CID 115248651

IUPACmethyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)C2CCCC2)COC1
InChIInChI=1S/C12H21NO3/c1-13(10-5-3-4-6-10)7-12(8-16-9-12)11(14)15-2/h10H,3-9H2,1-2H3
InChIKeyZBDLGEPGSYXDBU-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.05
Rot. Bonds4

About methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate

methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate (PubChem CID 115248651) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
PubChem CID115248651
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)C2CCCC2)COC1
InChIInChI=1S/C12H21NO3/c1-13(10-5-3-4-6-10)7-12(8-16-9-12)11(14)15-2/h10H,3-9H2,1-2H3
InChIKeyZBDLGEPGSYXDBU-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate (CID 115248651) is methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate is COC(=O)C1(CN(C)C2CCCC2)COC1.
What is the InChIKey of methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate?
The InChIKey is ZBDLGEPGSYXDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(10-5-3-4-6-10)7-12(8-16-9-12)11(14)15-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate?
methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate is sourced from PubChem (CID 115248651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).