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

C29H33NO5Si — CID 67482921

IUPAC(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO5Si/c1-29(2,3)36(24-15-9-5-10-16-24,25-17-11-6-12-18-25)35-23-19-26(27(31)32)30(20-23)28(33)34-21-22-13-7-4-8-14-22/h4-18,23,26H,19-21H2,1-3H3,(H,31,32)/t23-,26-/m1/s1
InChIKeyZRMLKGIMGVCOEZ-ZEQKJWHPSA-N
MW503.67 g/mol
LogP4.43
Rot. Bonds7

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

(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 67482921) has the molecular formula C29H33NO5Si and a molecular weight of 503.67 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID67482921
Molecular FormulaC29H33NO5Si
Molecular Weight503.67 g/mol
Exact Mass503.21
IUPAC Name(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO5Si/c1-29(2,3)36(24-15-9-5-10-16-24,25-17-11-6-12-18-25)35-23-19-26(27(31)32)30(20-23)28(33)34-21-22-13-7-4-8-14-22/h4-18,23,26H,19-21H2,1-3H3,(H,31,32)/t23-,26-/m1/s1
InChIKeyZRMLKGIMGVCOEZ-ZEQKJWHPSA-N
XLogP4.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 67482921) is (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CC(C)(C)[Si](O[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is ZRMLKGIMGVCOEZ-ZEQKJWHPSA-N. The full InChI is InChI=1S/C29H33NO5Si/c1-29(2,3)36(24-15-9-5-10-16-24,25-17-11-6-12-18-25)35-23-19-26(27(31)32)30(20-23)28(33)34-21-22-13-7-4-8-14-22/h4-18,23,26H,19-21H2,1-3H3,(H,31,32)/t23-,26-/m1/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 503.67 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67482921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).