(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C17H33NO6Si — CID 90004268

IUPAC(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]1(CO)C(=O)O
InChIInChI=1S/C17H33NO6Si/c1-15(2,3)23-14(22)18-10-12(9-17(18,11-19)13(20)21)24-25(7,8)16(4,5)6/h12,19H,9-11H2,1-8H3,(H,20,21)/t12-,17+/m1/s1
InChIKeyHHQFPCHPYQKCEC-PXAZEXFGSA-N
MW375.54 g/mol
LogP2.83
Rot. Bonds4

About (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 90004268) has the molecular formula C17H33NO6Si and a molecular weight of 375.54 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID90004268
Molecular FormulaC17H33NO6Si
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]1(CO)C(=O)O
InChIInChI=1S/C17H33NO6Si/c1-15(2,3)23-14(22)18-10-12(9-17(18,11-19)13(20)21)24-25(7,8)16(4,5)6/h12,19H,9-11H2,1-8H3,(H,20,21)/t12-,17+/m1/s1
InChIKeyHHQFPCHPYQKCEC-PXAZEXFGSA-N
XLogP2.83
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]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-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 90004268) is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]1(CO)C(=O)O.
What is the InChIKey of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HHQFPCHPYQKCEC-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H33NO6Si/c1-15(2,3)23-14(22)18-10-12(9-17(18,11-19)13(20)21)24-25(7,8)16(4,5)6/h12,19H,9-11H2,1-8H3,(H,20,21)/t12-,17+/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 375.54 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90004268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).