tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate

C8H17NO3 — CID 545700

IUPACtert-butyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3
InChIKeyRFDSJHHLGFFVHD-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.85
Rot. Bonds2

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

tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 545700) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-methylcarbamate
PubChem CID545700
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3
InChIKeyRFDSJHHLGFFVHD-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 545700) is tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is RFDSJHHLGFFVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate?
tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 175.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate is sourced from PubChem (CID 545700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).