tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate

C13H23NO3 — CID 84728183

IUPACtert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)CC1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H,14,16)
InChIKeyLKCFNSRNEPSJIY-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate

tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate (PubChem CID 84728183) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate
PubChem CID84728183
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)CC1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H,14,16)
InChIKeyLKCFNSRNEPSJIY-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

Computed Properties (RDKit)

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

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Related Compounds

Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate
CID 448022
tert-butyl N-(1-cyclohexyl-2-oxoethyl)carbamate
CID 23644230
tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate
CID 104275
(S)-tert-butyl 1-oxohexan-2-ylcarbamate
CID 10420833
((S)-1-Formyl-pentyl)-carbamic acid 1-isopropyl-2-methyl-propyl ester
CID 44343356
(S)-Tert-butyl 1-cyclohexyl-3-oxopropan-2-ylcarbamate
CID 10848617
((S)-1-Formyl-2-methyl-butyl)-carbamic acid tert-butyl ester
CID 11053055
((R)-1-Formyl-pentyl)-carbamic acid tert-butyl ester
CID 22884155
((S)-1-Formyl-hexyl)-carbamic acid tert-butyl ester
CID 44326654
((S)-3-Cyclohexyl-1-formyl-propyl)-carbamic acid tert-butyl ester
CID 44326856
tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate
CID 546109
((S)-4-Cyclohexyl-1-formyl-butyl)-carbamic acid tert-butyl ester
CID 9925805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate (CID 84728183) is tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C=O)CC1CCCC1.
What is the InChIKey of tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate?
The InChIKey is LKCFNSRNEPSJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)carbamate?
tert-butyl N-(1-cyclopentyl-3-oxopropan-2-yl)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-(1-cyclopentyl-3-oxopropan-2-yl)carbamate is sourced from PubChem (CID 84728183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).