[3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

C10H19NO3 — CID 140896469

IUPAC[3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(CO)C1
InChIInChI=1S/C10H19NO3/c1-10(2,3)11-9(13)14-8-4-7(5-8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)
InChIKeySIWOUOFAMGGEJM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.28
Rot. Bonds2

About [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

[3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (PubChem CID 140896469) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
PubChem CID140896469
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(CO)C1
InChIInChI=1S/C10H19NO3/c1-10(2,3)11-9(13)14-8-4-7(5-8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)
InChIKeySIWOUOFAMGGEJM-UHFFFAOYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate 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 [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (CID 140896469) is [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The InChIKey is SIWOUOFAMGGEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)11-9(13)14-8-4-7(5-8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
[3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 140896469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).