tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate

C14H23NO3 — CID 139022722

IUPACtert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CCC(=O)C1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-4-5-12(15)10-6-7-11(16)9-10/h10,12H,4-9H2,1-3H3
InChIKeyNQQWKZUZIHUCFX-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.76
Rot. Bonds1

About tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate (PubChem CID 139022722) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
PubChem CID139022722
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CCC(=O)C1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-4-5-12(15)10-6-7-11(16)9-10/h10,12H,4-9H2,1-3H3
InChIKeyNQQWKZUZIHUCFX-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
CID 91798850
tert-butyl 7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
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tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 6-oxo-3,4,4a,5,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepine-1-carboxylate
CID 102236237
tert-butyl 2-(2,6-dioxocyclohexyl)piperidine-1-carboxylate
CID 103845860
tert-butyl 2-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)piperidine-1-carboxylate
CID 163358453
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate (CID 139022722) is tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C1CCC(=O)C1.
What is the InChIKey of tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate?
The InChIKey is NQQWKZUZIHUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-4-5-12(15)10-6-7-11(16)9-10/h10,12H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 139022722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).