tert-butyl N-(hydroxymethyl)carbamate

C6H13NO3 — CID 54138784

IUPACtert-butyl N-(hydroxymethyl)carbamate
SMILESCC(C)(C)OC(=O)NCO
InChIInChI=1S/C6H13NO3/c1-6(2,3)10-5(9)7-4-8/h8H,4H2,1-3H3,(H,7,9)
InChIKeyWVBAFRIVZUVHNY-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.46
Rot. Bonds1

About tert-butyl N-(hydroxymethyl)carbamate

tert-butyl N-(hydroxymethyl)carbamate (PubChem CID 54138784) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is tert-butyl N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(hydroxymethyl)carbamate
PubChem CID54138784
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nametert-butyl N-(hydroxymethyl)carbamate
SMILESCC(C)(C)OC(=O)NCO
InChIInChI=1S/C6H13NO3/c1-6(2,3)10-5(9)7-4-8/h8H,4H2,1-3H3,(H,7,9)
InChIKeyWVBAFRIVZUVHNY-UHFFFAOYSA-N
XLogP0.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
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)carbamate?
The IUPAC name of tert-butyl N-(hydroxymethyl)carbamate (CID 54138784) is tert-butyl N-(hydroxymethyl)carbamate.
What is the SMILES notation for tert-butyl N-(hydroxymethyl)carbamate?
The canonical SMILES for tert-butyl N-(hydroxymethyl)carbamate is CC(C)(C)OC(=O)NCO.
What is the InChIKey of tert-butyl N-(hydroxymethyl)carbamate?
The InChIKey is WVBAFRIVZUVHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(2,3)10-5(9)7-4-8/h8H,4H2,1-3H3,(H,7,9).
What are the key properties of tert-butyl N-(hydroxymethyl)carbamate?
tert-butyl N-(hydroxymethyl)carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(hydroxymethyl)carbamate is sourced from PubChem (CID 54138784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).