tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate

C10H17NO3 — CID 91757722

IUPACtert-butyl N-[(1R)-2-oxocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m1/s1
InChIKeyUXSQXOIYRVCHBS-SSDOTTSWSA-N
MW199.25 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate

tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate (PubChem CID 91757722) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-oxocyclopentyl]carbamate
PubChem CID91757722
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-[(1R)-2-oxocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m1/s1
InChIKeyUXSQXOIYRVCHBS-SSDOTTSWSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate (CID 91757722) is tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCC1=O.
What is the InChIKey of tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate?
The InChIKey is UXSQXOIYRVCHBS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate?
tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-oxocyclopentyl]carbamate is sourced from PubChem (CID 91757722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).