2-hydroxyethyl N-tert-butylcarbamate

C7H15NO3 — CID 79345635

IUPAC2-hydroxyethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCO
InChIInChI=1S/C7H15NO3/c1-7(2,3)8-6(10)11-5-4-9/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyBOYQDCJEJUNSPX-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.50
Rot. Bonds2

About 2-hydroxyethyl N-tert-butylcarbamate

2-hydroxyethyl N-tert-butylcarbamate (PubChem CID 79345635) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-hydroxyethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-tert-butylcarbamate
PubChem CID79345635
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-hydroxyethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCO
InChIInChI=1S/C7H15NO3/c1-7(2,3)8-6(10)11-5-4-9/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyBOYQDCJEJUNSPX-UHFFFAOYSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl 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 2-hydroxyethyl N-tert-butylcarbamate?
The IUPAC name of 2-hydroxyethyl N-tert-butylcarbamate (CID 79345635) is 2-hydroxyethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-tert-butylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-tert-butylcarbamate?
The InChIKey is BOYQDCJEJUNSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)8-6(10)11-5-4-9/h9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of 2-hydroxyethyl N-tert-butylcarbamate?
2-hydroxyethyl N-tert-butylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-tert-butylcarbamate is sourced from PubChem (CID 79345635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).