tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate

C13H25NO3 — CID 130272561

IUPACtert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate
SMILESCOC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(15)14-11-8-6-5-7-10(11)9-16-4/h10-11H,5-9H2,1-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyQMESAXPLKZBTQD-QWRGUYRKSA-N
MW243.35 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate

tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate (PubChem CID 130272561) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate
PubChem CID130272561
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate
SMILESCOC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(15)14-11-8-6-5-7-10(11)9-16-4/h10-11H,5-9H2,1-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyQMESAXPLKZBTQD-QWRGUYRKSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate 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 N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate (CID 130272561) is tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate is COC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate?
The InChIKey is QMESAXPLKZBTQD-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)17-12(15)14-11-8-6-5-7-10(11)9-16-4/h10-11H,5-9H2,1-4H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate?
tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-(methoxymethyl)cyclohexyl]carbamate is sourced from PubChem (CID 130272561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).