propan-2-yl N-tert-butylcarbamate

C8H17NO2 — CID 58798528

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

About propan-2-yl N-tert-butylcarbamate

propan-2-yl N-tert-butylcarbamate (PubChem CID 58798528) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is propan-2-yl N-tert-butylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-tert-butylcarbamate
PubChem CID58798528
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepropan-2-yl N-tert-butylcarbamate
SMILESCC(C)OC(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)11-7(10)9-8(3,4)5/h6H,1-5H3,(H,9,10)
InChIKeySYPYRAUKJXSXNN-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 propan-2-yl N-tert-butylcarbamate?
The IUPAC name of propan-2-yl N-tert-butylcarbamate (CID 58798528) is propan-2-yl N-tert-butylcarbamate.
What is the SMILES notation for propan-2-yl N-tert-butylcarbamate?
The canonical SMILES for propan-2-yl N-tert-butylcarbamate is CC(C)OC(=O)NC(C)(C)C.
What is the InChIKey of propan-2-yl N-tert-butylcarbamate?
The InChIKey is SYPYRAUKJXSXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)11-7(10)9-8(3,4)5/h6H,1-5H3,(H,9,10).
What are the key properties of propan-2-yl N-tert-butylcarbamate?
propan-2-yl N-tert-butylcarbamate 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 propan-2-yl N-tert-butylcarbamate is sourced from PubChem (CID 58798528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).