cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate

C12H23NO2 — CID 130356038

IUPACcyclopentylmethyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(2,3)13-11(14)15-9-10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOEUOKMNRRQPXJE-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.09
Rot. Bonds4

About cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate

cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate (PubChem CID 130356038) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Namecyclopentylmethyl N-(2-methylbutan-2-yl)carbamate
PubChem CID130356038
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclopentylmethyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(2,3)13-11(14)15-9-10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOEUOKMNRRQPXJE-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate (CID 130356038) is cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate is CCC(C)(C)NC(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate?
The InChIKey is OEUOKMNRRQPXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(2,3)13-11(14)15-9-10-7-5-6-8-10/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate?
cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 130356038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).