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

C21H27NO2Si — CID 102045766

IUPAC(2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18-14-19(20(23)24)22-15-18/h4-13,18-19,22H,14-15H2,1-3H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyHDOYCBMEBMBGCY-MOPGFXCFSA-N
MW353.54 g/mol
LogP2.87
Rot. Bonds4

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

(2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid (PubChem CID 102045766) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid
PubChem CID102045766
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18-14-19(20(23)24)22-15-18/h4-13,18-19,22H,14-15H2,1-3H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyHDOYCBMEBMBGCY-MOPGFXCFSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid (CID 102045766) is (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HDOYCBMEBMBGCY-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-21(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18-14-19(20(23)24)22-15-18/h4-13,18-19,22H,14-15H2,1-3H3,(H,23,24)/t18-,19+/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid has a molecular weight of 353.54 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(diphenyl)silyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102045766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).