tert-butyl N-propan-2-ylcarbamate

C8H17NO2 — CID 5093479

IUPACtert-butyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)9-7(10)11-8(3,4)5/h6H,1-5H3,(H,9,10)
InChIKeyJRFZNGUHKPPRHG-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.92
Rot. Bonds1

About tert-butyl N-propan-2-ylcarbamate

tert-butyl N-propan-2-ylcarbamate (PubChem CID 5093479) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is tert-butyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-ylcarbamate
PubChem CID5093479
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametert-butyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)9-7(10)11-8(3,4)5/h6H,1-5H3,(H,9,10)
InChIKeyJRFZNGUHKPPRHG-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-propan-2-ylcarbamate (CID 5093479) is tert-butyl N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-propan-2-ylcarbamate is CC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-propan-2-ylcarbamate?
The InChIKey is JRFZNGUHKPPRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)9-7(10)11-8(3,4)5/h6H,1-5H3,(H,9,10).
What are the key properties of tert-butyl N-propan-2-ylcarbamate?
tert-butyl N-propan-2-ylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-ylcarbamate is sourced from PubChem (CID 5093479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).