ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C12H19NO3 — CID 94077568

IUPACethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)9-7-11(14)13(8-9)10-5-3-4-6-10/h9-10H,2-8H2,1H3/t9-/m1/s1
InChIKeyGHTPMPQGZOCZDW-SECBINFHSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds3

About ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 94077568) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID94077568
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)9-7-11(14)13(8-9)10-5-3-4-6-10/h9-10H,2-8H2,1H3/t9-/m1/s1
InChIKeyGHTPMPQGZOCZDW-SECBINFHSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 113221179
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
(2-methyl-2-phenylpropyl) (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 97010220
ethyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 168662115
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 102559217
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 94077568) is ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is CCOC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is GHTPMPQGZOCZDW-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-16-12(15)9-7-11(14)13(8-9)10-5-3-4-6-10/h9-10H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 94077568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).