(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate

C19H21NO3 — CID 26194

IUPAC(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
SMILESCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H21NO3/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3
InChIKeyYIYNRMJWZJVPOO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.17
Rot. Bonds4

About (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate

(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 26194) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
PubChem CID26194
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
SMILESCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H21NO3/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3
InChIKeyYIYNRMJWZJVPOO-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate 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 (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate (CID 26194) is (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate is CN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is YIYNRMJWZJVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate?
(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate has a molecular weight of 311.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 26194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).