tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate

C13H23NO3 — CID 165465207

IUPACtert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
SMILESCC(=O)C1(C)CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(15)13(5)8-6-7-10(13)14-11(16)17-12(2,3)4/h10H,6-8H2,1-5H3,(H,14,16)
InChIKeyWQZWHZCMGQDWDE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.66
Rot. Bonds2

About tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate

tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate (PubChem CID 165465207) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
PubChem CID165465207
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
SMILESCC(=O)C1(C)CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(15)13(5)8-6-7-10(13)14-11(16)17-12(2,3)4/h10H,6-8H2,1-5H3,(H,14,16)
InChIKeyWQZWHZCMGQDWDE-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103738428
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(1R,2R)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]-2-methylcyclohexyl]carbamate
CID 99780847
methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate
CID 104701922
cis-(1R,2R)-1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 66679596
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylcyclopentane-1-carboxylic acid
CID 67252878

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate?
The IUPAC name of tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate (CID 165465207) is tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate?
The canonical SMILES for tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate is CC(=O)C1(C)CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate?
The InChIKey is WQZWHZCMGQDWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(15)13(5)8-6-7-10(13)14-11(16)17-12(2,3)4/h10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate?
tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate is sourced from PubChem (CID 165465207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).