tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate

C12H21NO3 — CID 84725946

IUPACtert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10(8-14)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKeyXXTGXCWJVRFVKS-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.27
Rot. Bonds3

About tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate

tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate (PubChem CID 84725946) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate
PubChem CID84725946
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10(8-14)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKeyXXTGXCWJVRFVKS-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate (CID 84725946) is tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate is CC(C)(C)OC(=O)NC(C=O)C1CCCC1.
What is the InChIKey of tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate?
The InChIKey is XXTGXCWJVRFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10(8-14)9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate?
tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopentyl-2-oxoethyl)carbamate is sourced from PubChem (CID 84725946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).