tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate

C14H25NO3 — CID 165465288

IUPACtert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
SMILESCCC(=O)CC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-12(16)9-10-6-7-11(8-10)15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyQPGBINQGCQMZBH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate

tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate (PubChem CID 165465288) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
PubChem CID165465288
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
SMILESCCC(=O)CC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-12(16)9-10-6-7-11(8-10)15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyQPGBINQGCQMZBH-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
CID 163374886
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
2-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl methanesulfonate
CID 18453433
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate (CID 165465288) is tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate is CCC(=O)CC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate?
The InChIKey is QPGBINQGCQMZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-12(16)9-10-6-7-11(8-10)15-13(17)18-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate?
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate is sourced from PubChem (CID 165465288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).