butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C14H23NO3 — CID 113221179

IUPACbutyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCCCCOC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H23NO3/c1-2-3-8-18-14(17)11-9-13(16)15(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3
InChIKeyKWBHMDODGDJKTP-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.12
Rot. Bonds5

About butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 113221179) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebutyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID113221179
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namebutyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCCCCOC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H23NO3/c1-2-3-8-18-14(17)11-9-13(16)15(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3
InChIKeyKWBHMDODGDJKTP-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
3-(1,3-benzothiazol-2-yl)propyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 71888709
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624
ethyl (3R)-1-[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018625
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 97010220
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638

Frequently Asked Questions

What is the IUPAC name of butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 113221179) is butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is CCCCOC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is KWBHMDODGDJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-8-18-14(17)11-9-13(16)15(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3.
What are the key properties of butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 113221179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).