(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid

C12H23NO5Si — CID 91462147

IUPAC(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)C[C@@H](O)CN1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H23NO5Si/c1-12(10(15)16)7-9(14)8-13(12)11(17)18-5-6-19(2,3)4/h9,14H,5-8H2,1-4H3,(H,15,16)/t9-,12+/m1/s1
InChIKeyRSMHOLGVLQULQM-SKDRFNHKSA-N
MW289.40 g/mol
LogP1.37
Rot. Bonds4

About (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 91462147) has the molecular formula C12H23NO5Si and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID91462147
Molecular FormulaC12H23NO5Si
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)C[C@@H](O)CN1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H23NO5Si/c1-12(10(15)16)7-9(14)8-13(12)11(17)18-5-6-19(2,3)4/h9,14H,5-8H2,1-4H3,(H,15,16)/t9-,12+/m1/s1
InChIKeyRSMHOLGVLQULQM-SKDRFNHKSA-N
XLogP1.37
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-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 (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 91462147) is (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid is C[C@@]1(C(=O)O)C[C@@H](O)CN1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RSMHOLGVLQULQM-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H23NO5Si/c1-12(10(15)16)7-9(14)8-13(12)11(17)18-5-6-19(2,3)4/h9,14H,5-8H2,1-4H3,(H,15,16)/t9-,12+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 289.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-2-methyl-1-(2-trimethylsilylethoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 91462147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).