methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate

C19H25NO5 — CID 68686028

IUPACmethyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1=O
InChIInChI=1S/C19H25NO5/c1-23-16-8-7-13(11-17(16)25-14-5-3-4-6-14)15-9-10-20(19(15)22)12-18(21)24-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3
InChIKeyCCGCJVWGKAFQDK-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.51
Rot. Bonds6

About methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate

methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate (PubChem CID 68686028) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
PubChem CID68686028
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namemethyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1=O
InChIInChI=1S/C19H25NO5/c1-23-16-8-7-13(11-17(16)25-14-5-3-4-6-14)15-9-10-20(19(15)22)12-18(21)24-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3
InChIKeyCCGCJVWGKAFQDK-UHFFFAOYSA-N
XLogP2.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate 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 methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate (CID 68686028) is methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate is COC(=O)CN1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1=O.
What is the InChIKey of methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is CCGCJVWGKAFQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-23-16-8-7-13(11-17(16)25-14-5-3-4-6-14)15-9-10-20(19(15)22)12-18(21)24-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3.
What are the key properties of methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate?
methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 347.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 68686028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).