(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid

C22H27NO4Si — CID 141299498

IUPAC(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)N1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17H,14-16H2,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyRDMGKRBDKXYLLP-KRWDZBQOSA-N
MW397.55 g/mol
LogP3.23
Rot. Bonds5

About (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid (PubChem CID 141299498) has the molecular formula C22H27NO4Si and a molecular weight of 397.55 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
PubChem CID141299498
Molecular FormulaC22H27NO4Si
Molecular Weight397.55 g/mol
Exact Mass397.17
IUPAC Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)N1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17H,14-16H2,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyRDMGKRBDKXYLLP-KRWDZBQOSA-N
XLogP3.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
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)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid (CID 141299498) is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid is CC(C)(C)[Si](OC[C@@H]1CCC(=O)N1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid?
The InChIKey is RDMGKRBDKXYLLP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17H,14-16H2,1-3H3,(H,25,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid?
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid has a molecular weight of 397.55 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141299498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).