tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate

C12H20ClNO3 — CID 104701394

IUPACtert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1C(=O)CCl
InChIInChI=1S/C12H20ClNO3/c1-12(2,3)17-11(16)14-9-6-4-5-8(9)10(15)7-13/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyTWZXLLJYHHLAFB-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate

tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate (PubChem CID 104701394) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
PubChem CID104701394
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Nametert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1C(=O)CCl
InChIInChI=1S/C12H20ClNO3/c1-12(2,3)17-11(16)14-9-6-4-5-8(9)10(15)7-13/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyTWZXLLJYHHLAFB-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701400
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate (CID 104701394) is tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1C(=O)CCl.
What is the InChIKey of tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate?
The InChIKey is TWZXLLJYHHLAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO3/c1-12(2,3)17-11(16)14-9-6-4-5-8(9)10(15)7-13/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate?
tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate has a molecular weight of 261.75 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate is sourced from PubChem (CID 104701394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).