2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid

C14H26F3NO4Si — CID 90158080

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESCC1C(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1(O)C(F)(F)F
InChIInChI=1S/C14H26F3NO4Si/c1-9-10(7-22-23(5,6)12(2,3)4)18(11(19)20)8-13(9,21)14(15,16)17/h9-10,21H,7-8H2,1-6H3,(H,19,20)
InChIKeyKVUUYOFQXXFPCC-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.30
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid (PubChem CID 90158080) has the molecular formula C14H26F3NO4Si and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid
PubChem CID90158080
Molecular FormulaC14H26F3NO4Si
Molecular Weight357.45 g/mol
Exact Mass357.16
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESCC1C(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1(O)C(F)(F)F
InChIInChI=1S/C14H26F3NO4Si/c1-9-10(7-22-23(5,6)12(2,3)4)18(11(19)20)8-13(9,21)14(15,16)17/h9-10,21H,7-8H2,1-6H3,(H,19,20)
InChIKeyKVUUYOFQXXFPCC-UHFFFAOYSA-N
XLogP3.30
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid (CID 90158080) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid is CC1C(CO[Si](C)(C)C(C)(C)C)N(C(=O)O)CC1(O)C(F)(F)F.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KVUUYOFQXXFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO4Si/c1-9-10(7-22-23(5,6)12(2,3)4)18(11(19)20)8-13(9,21)14(15,16)17/h9-10,21H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 357.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90158080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).