ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

C19H27NO4 — CID 10088201

IUPACethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C19H27NO4/c1-3-23-19(21)20-11-10-15(13-20)14-8-9-17(22-2)18(12-14)24-16-6-4-5-7-16/h8-9,12,15-16H,3-7,10-11,13H2,1-2H3
InChIKeyUKOSFGICFAWANG-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.96
Rot. Bonds5

About ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 10088201) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
PubChem CID10088201
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C19H27NO4/c1-3-23-19(21)20-11-10-15(13-20)14-8-9-17(22-2)18(12-14)24-16-6-4-5-7-16/h8-9,12,15-16H,3-7,10-11,13H2,1-2H3
InChIKeyUKOSFGICFAWANG-UHFFFAOYSA-N
XLogP3.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (CID 10088201) is ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1.
What is the InChIKey of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is UKOSFGICFAWANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-23-19(21)20-11-10-15(13-20)14-8-9-17(22-2)18(12-14)24-16-6-4-5-7-16/h8-9,12,15-16H,3-7,10-11,13H2,1-2H3.
What are the key properties of ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10088201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).