(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine

C18H22NO2P — CID 135016751

IUPAC(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c1-21-15-16-9-8-14-19(16)22(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3/t16-/m0/s1
InChIKeyDYYLZXCTLXWVFW-INIZCTEOSA-N
MW315.35 g/mol
LogP3.03
Rot. Bonds5

About (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine

(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine (PubChem CID 135016751) has the molecular formula C18H22NO2P and a molecular weight of 315.35 g/mol. Its IUPAC name is (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine
PubChem CID135016751
Molecular FormulaC18H22NO2P
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c1-21-15-16-9-8-14-19(16)22(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3/t16-/m0/s1
InChIKeyDYYLZXCTLXWVFW-INIZCTEOSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-diphenylphosphoryl-2-(methoxymethyl)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 (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine (CID 135016751) is (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine?
The InChIKey is DYYLZXCTLXWVFW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22NO2P/c1-21-15-16-9-8-14-19(16)22(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine?
(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine has a molecular weight of 315.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 135016751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).