(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid

C22H29NO3Si — CID 175557574

IUPAC(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1CCN(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-23(16-18)21(24)25/h4-13,18H,14-17H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyRNWSIQXWGYZBRC-GOSISDBHSA-N
MW383.56 g/mol
LogP3.56
Rot. Bonds5

About (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid

(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 175557574) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID175557574
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1CCN(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-23(16-18)21(24)25/h4-13,18H,14-17H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyRNWSIQXWGYZBRC-GOSISDBHSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid 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 (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid (CID 175557574) is (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid is CC(C)(C)[Si](OC[C@@H]1CCN(C(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is RNWSIQXWGYZBRC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-23(16-18)21(24)25/h4-13,18H,14-17H2,1-3H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid?
(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 383.56 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175557574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).