tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate

C17H31NO3 — CID 143486008

IUPACtert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCC1CCC(OCC2CCCN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-13-7-9-15(10-8-13)20-12-14-6-5-11-18(14)16(19)21-17(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyUTVQEWVEDVXVTO-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 143486008) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
PubChem CID143486008
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCC1CCC(OCC2CCCN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-13-7-9-15(10-8-13)20-12-14-6-5-11-18(14)16(19)21-17(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyUTVQEWVEDVXVTO-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-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 tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate (CID 143486008) is tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate is CC1CCC(OCC2CCCN2C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is UTVQEWVEDVXVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13-7-9-15(10-8-13)20-12-14-6-5-11-18(14)16(19)21-17(2,3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 143486008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).