tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate

C12H21NO3 — CID 24744996

IUPACtert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate
SMILESCC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-8(14)9-5-6-10(7-9)13-11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyGUXURKSRCUGCCA-ZJUUUORDSA-N
MW227.30 g/mol
LogP2.27
Rot. Bonds2

About tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate

tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate (PubChem CID 24744996) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate
PubChem CID24744996
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate
SMILESCC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-8(14)9-5-6-10(7-9)13-11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyGUXURKSRCUGCCA-ZJUUUORDSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

rac-tert-butyl N-((1R,3S)-3-formylcyclopentyl)carbamate
CID 18453415
tert-butyl N-{3-oxobicyclo[3.1.0]hexan-6-yl}carbamate
CID 22479589
4-(Aminomethyl)cyclohexanone, N-BOC protected
CID 40424027
tert-butyl N-[(3-oxocyclohexyl)methyl]carbamate
CID 53419903
tert-butyl N-[(3-oxocyclopentyl)methyl]carbamate
CID 53419904
tert-butyl N-((2-oxocyclopentyl)methyl)carbamate
CID 54595388
(3-Cyclopentyl-3-oxo-propyl)-carbamic Acid Tert-Butyl Ester
CID 58762663
tert-butyl N-(3-methyl-4-oxocyclohexyl)carbamate
CID 156641204
tert-butyl N-(5-oxo-octahydropentalen-2-yl)carbamate
CID 121605549
tert-butyl N-(2-(3-oxocyclopentyl)ethyl)carbamate
CID 138040923
rac-tert-butyl N-((1R,2R,4R)-5-oxobicyclo(2.2.1)heptan-2-yl)carbamate
CID 138987891
tert-butyl N-(1-cyclopentyl-2-fluoro-2-oxoethyl)carbamate
CID 87401435

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate (CID 24744996) is tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate is CC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate?
The InChIKey is GUXURKSRCUGCCA-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(14)9-5-6-10(7-9)13-11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate?
tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate is sourced from PubChem (CID 24744996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).