(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate

C15H21NO4 — CID 62372596

IUPAC(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate
SMILESCCOc1ccc(OC(=O)CN2CCC(CO)C2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-13-3-5-14(6-4-13)20-15(18)10-16-8-7-12(9-16)11-17/h3-6,12,17H,2,7-11H2,1H3
InChIKeyPUISOTYRBFJDCT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.30
Rot. Bonds6

About (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate

(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate (PubChem CID 62372596) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate
PubChem CID62372596
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate
SMILESCCOc1ccc(OC(=O)CN2CCC(CO)C2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-13-3-5-14(6-4-13)20-15(18)10-16-8-7-12(9-16)11-17/h3-6,12,17H,2,7-11H2,1H3
InChIKeyPUISOTYRBFJDCT-UHFFFAOYSA-N
XLogP1.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-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

Related Compounds

(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate
CID 63263850
(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 66291413
(4-ethoxyphenyl) 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115966761
(4-ethoxyphenyl) 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetate
CID 79410220
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107228038
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
(4-ethoxyphenyl) 3-aminopyrrolidine-1-carboxylate
CID 116819452

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate?
The IUPAC name of (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate (CID 62372596) is (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate is CCOc1ccc(OC(=O)CN2CCC(CO)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate?
The InChIKey is PUISOTYRBFJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-19-13-3-5-14(6-4-13)20-15(18)10-16-8-7-12(9-16)11-17/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate?
(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 62372596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).