tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate

C13H24N2O3 — CID 123825419

IUPACtert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
SMILESCCNC(=O)C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-5-14-11(16)9-6-7-10(8-9)15-12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyDTXRKGKEWNKWCX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.82
Rot. Bonds3

About tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate

tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate (PubChem CID 123825419) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
PubChem CID123825419
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
SMILESCCNC(=O)C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-5-14-11(16)9-6-7-10(8-9)15-12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyDTXRKGKEWNKWCX-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate
CID 71991481
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719789
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1S,3R)-3-(methylcarbamothioyl)cyclopentyl]carbamate
CID 59028664
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate
CID 176736316
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
CID 59316038
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate (CID 123825419) is tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate is CCNC(=O)C1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate?
The InChIKey is DTXRKGKEWNKWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-14-11(16)9-6-7-10(8-9)15-12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate?
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate is sourced from PubChem (CID 123825419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).