(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid

C21H27NO3Si — CID 11552425

IUPAC(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1CN[C@H](C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-14-19(20(23)24)22-15-16/h4-13,16,19,22H,14-15H2,1-3H3,(H,23,24)/t16-,19+/m1/s1
InChIKeyLHSRURYOCDIZEW-APWZRJJASA-N
MW369.54 g/mol
LogP2.38
Rot. Bonds5

About (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid

(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid (PubChem CID 11552425) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
PubChem CID11552425
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1CN[C@H](C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-14-19(20(23)24)22-15-16/h4-13,16,19,22H,14-15H2,1-3H3,(H,23,24)/t16-,19+/m1/s1
InChIKeyLHSRURYOCDIZEW-APWZRJJASA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid (CID 11552425) is (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid is CC(C)(C)[Si](O[C@H]1CN[C@H](C(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
The InChIKey is LHSRURYOCDIZEW-APWZRJJASA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-14-19(20(23)24)22-15-16/h4-13,16,19,22H,14-15H2,1-3H3,(H,23,24)/t16-,19+/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid?
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid has a molecular weight of 369.54 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11552425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).