tert-butyl N-butan-2-ylcarbamate

C9H19NO2 — CID 14663479

IUPACtert-butyl N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyJOLOYYRHPUVBJM-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.31
Rot. Bonds2

About tert-butyl N-butan-2-ylcarbamate

tert-butyl N-butan-2-ylcarbamate (PubChem CID 14663479) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl N-butan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-ylcarbamate
PubChem CID14663479
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyJOLOYYRHPUVBJM-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-ylcarbamate?
The IUPAC name of tert-butyl N-butan-2-ylcarbamate (CID 14663479) is tert-butyl N-butan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-butan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-butan-2-ylcarbamate is CCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butan-2-ylcarbamate?
The InChIKey is JOLOYYRHPUVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of tert-butyl N-butan-2-ylcarbamate?
tert-butyl N-butan-2-ylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-ylcarbamate is sourced from PubChem (CID 14663479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).