tert-butyl N-(2-hydroxyethyl)carbamate

C7H15NO3 — CID 2733206

IUPACtert-butyl N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCO
InChIInChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyGPTXCAZYUMDUMN-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.50
Rot. Bonds2

About tert-butyl N-(2-hydroxyethyl)carbamate

tert-butyl N-(2-hydroxyethyl)carbamate (PubChem CID 2733206) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)carbamate
PubChem CID2733206
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nametert-butyl N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCO
InChIInChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
InChIKeyGPTXCAZYUMDUMN-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)carbamate (CID 2733206) is tert-butyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)NCCO.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)carbamate?
The InChIKey is GPTXCAZYUMDUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of tert-butyl N-(2-hydroxyethyl)carbamate?
tert-butyl N-(2-hydroxyethyl)carbamate 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 tert-butyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 2733206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).