(2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid

C13H25NO6Si — CID 175208194

IUPAC(2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid
SMILESC[SiH](C)OC(C(C)(C)C)[C@]1(O)C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C13H25NO6Si/c1-12(2,3)10(20-21(4)5)13(19)6-8(9(15)16)14(7-13)11(17)18/h8,10,19,21H,6-7H2,1-5H3,(H,15,16)(H,17,18)/t8-,10?,13-/m0/s1
InChIKeyURZSMUNMGSXVQI-PPVWGBJPSA-N
MW319.43 g/mol
LogP0.97
Rot. Bonds4

About (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid

(2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid (PubChem CID 175208194) has the molecular formula C13H25NO6Si and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid
PubChem CID175208194
Molecular FormulaC13H25NO6Si
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid
SMILESC[SiH](C)OC(C(C)(C)C)[C@]1(O)C[C@@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C13H25NO6Si/c1-12(2,3)10(20-21(4)5)13(19)6-8(9(15)16)14(7-13)11(17)18/h8,10,19,21H,6-7H2,1-5H3,(H,15,16)(H,17,18)/t8-,10?,13-/m0/s1
InChIKeyURZSMUNMGSXVQI-PPVWGBJPSA-N
XLogP0.97
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic 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,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid (CID 175208194) is (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid is C[SiH](C)OC(C(C)(C)C)[C@]1(O)C[C@@H](C(=O)O)N(C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid?
The InChIKey is URZSMUNMGSXVQI-PPVWGBJPSA-N. The full InChI is InChI=1S/C13H25NO6Si/c1-12(2,3)10(20-21(4)5)13(19)6-8(9(15)16)14(7-13)11(17)18/h8,10,19,21H,6-7H2,1-5H3,(H,15,16)(H,17,18)/t8-,10?,13-/m0/s1.
What are the key properties of (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid?
(2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid has a molecular weight of 319.43 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-hydroxypyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 175208194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).