tert-butyl N-methylcarbamate

C6H13NO2 — CID 527635

IUPACtert-butyl N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)
InChIKeyJHLVEBNWCCKSGY-UHFFFAOYSA-N
MW131.17 g/mol
LogP1.14
Rot. Bonds

About tert-butyl N-methylcarbamate

tert-butyl N-methylcarbamate (PubChem CID 527635) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is tert-butyl N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methylcarbamate
PubChem CID527635
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Nametert-butyl N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)
InChIKeyJHLVEBNWCCKSGY-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylcarbamate?
The IUPAC name of tert-butyl N-methylcarbamate (CID 527635) is tert-butyl N-methylcarbamate.
What is the SMILES notation for tert-butyl N-methylcarbamate?
The canonical SMILES for tert-butyl N-methylcarbamate is CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methylcarbamate?
The InChIKey is JHLVEBNWCCKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8).
What are the key properties of tert-butyl N-methylcarbamate?
tert-butyl N-methylcarbamate has a molecular weight of 131.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylcarbamate is sourced from PubChem (CID 527635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).