(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine

C22H29N — CID 44598301

IUPAC(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine
SMILESc1ccc(CCC[C@@H]2CC[C@H](CCCc3ccccc3)N2)cc1
InChIInChI=1S/C22H29N/c1-3-9-19(10-4-1)13-7-15-21-17-18-22(23-21)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21-,22+
InChIKeyWKJLZWWXLFVFEV-SZPZYZBQSA-N
MW307.48 g/mol
LogP5.15
Rot. Bonds8

About (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine

(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine (PubChem CID 44598301) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine
PubChem CID44598301
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine
SMILESc1ccc(CCC[C@@H]2CC[C@H](CCCc3ccccc3)N2)cc1
InChIInChI=1S/C22H29N/c1-3-9-19(10-4-1)13-7-15-21-17-18-22(23-21)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21-,22+
InChIKeyWKJLZWWXLFVFEV-SZPZYZBQSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine 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 (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine?
The IUPAC name of (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine (CID 44598301) is (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine.
What is the SMILES notation for (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine?
The canonical SMILES for (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine is c1ccc(CCC[C@@H]2CC[C@H](CCCc3ccccc3)N2)cc1.
What is the InChIKey of (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine?
The InChIKey is WKJLZWWXLFVFEV-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H29N/c1-3-9-19(10-4-1)13-7-15-21-17-18-22(23-21)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2/t21-,22+.
What are the key properties of (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine?
(2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine has a molecular weight of 307.48 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-bis(3-phenylpropyl)pyrrolidine is sourced from PubChem (CID 44598301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).