(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid

C23H27NO3Si — CID 87961142

IUPAC(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid
SMILESC#C[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)O
InChIInChI=1S/C23H27NO3Si/c1-5-18-16-19(17-24(18)22(25)26)27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h1,6-15,18-19H,16-17H2,2-4H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyCFTCIZYOJRPYIU-RBUKOAKNSA-N
MW393.56 g/mol
LogP3.32
Rot. Bonds4

About (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid

(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid (PubChem CID 87961142) has the molecular formula C23H27NO3Si and a molecular weight of 393.56 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid
PubChem CID87961142
Molecular FormulaC23H27NO3Si
Molecular Weight393.56 g/mol
Exact Mass393.18
IUPAC Name(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid
SMILESC#C[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)O
InChIInChI=1S/C23H27NO3Si/c1-5-18-16-19(17-24(18)22(25)26)27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h1,6-15,18-19H,16-17H2,2-4H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyCFTCIZYOJRPYIU-RBUKOAKNSA-N
XLogP3.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-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 (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid (CID 87961142) is (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid is C#C[C@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)O.
What is the InChIKey of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid?
The InChIKey is CFTCIZYOJRPYIU-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H27NO3Si/c1-5-18-16-19(17-24(18)22(25)26)27-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h1,6-15,18-19H,16-17H2,2-4H3,(H,25,26)/t18-,19+/m0/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid?
(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid has a molecular weight of 393.56 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethynylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87961142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).