tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate

C13H23NO3 — CID 58762663

IUPACtert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-8-11(15)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyWSKUZOYFYUOYRT-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate

tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate (PubChem CID 58762663) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate
PubChem CID58762663
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-8-11(15)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyWSKUZOYFYUOYRT-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate (CID 58762663) is tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate is CC(C)(C)OC(=O)NCCC(=O)C1CCCC1.
What is the InChIKey of tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate?
The InChIKey is WSKUZOYFYUOYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-8-11(15)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate?
tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate is sourced from PubChem (CID 58762663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).