tert-butyl N-(hydroxymethyl)-N-methylcarbamate

C7H15NO3 — CID 135013785

IUPACtert-butyl N-(hydroxymethyl)-N-methylcarbamate
SMILESCN(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8(4)5-9/h9H,5H2,1-4H3
InChIKeyWQIXPQOOQMVHAJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.80
Rot. Bonds1

About tert-butyl N-(hydroxymethyl)-N-methylcarbamate

tert-butyl N-(hydroxymethyl)-N-methylcarbamate (PubChem CID 135013785) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is tert-butyl N-(hydroxymethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(hydroxymethyl)-N-methylcarbamate
PubChem CID135013785
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nametert-butyl N-(hydroxymethyl)-N-methylcarbamate
SMILESCN(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8(4)5-9/h9H,5H2,1-4H3
InChIKeyWQIXPQOOQMVHAJ-UHFFFAOYSA-N
XLogP0.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(hydroxymethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(hydroxymethyl)-N-methylcarbamate (CID 135013785) is tert-butyl N-(hydroxymethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(hydroxymethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(hydroxymethyl)-N-methylcarbamate is CN(CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(hydroxymethyl)-N-methylcarbamate?
The InChIKey is WQIXPQOOQMVHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8(4)5-9/h9H,5H2,1-4H3.
What are the key properties of tert-butyl N-(hydroxymethyl)-N-methylcarbamate?
tert-butyl N-(hydroxymethyl)-N-methylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(hydroxymethyl)-N-methylcarbamate is sourced from PubChem (CID 135013785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).