(2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid

C20H29NO6Si — CID 134882721

IUPAC(2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESC[C@H]1C(=O)N[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)O)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H29NO6Si/c1-13-15(27-17(23)14-10-8-7-9-11-14)20(18(24)25,21-16(13)22)12-26-28(5,6)19(2,3)4/h7-11,13,15H,12H2,1-6H3,(H,21,22)(H,24,25)/t13-,15-,20+/m1/s1
InChIKeyVHXFNMDRBBSEOH-RCDCFZSISA-N
MW407.54 g/mol
LogP2.82
Rot. Bonds6

About (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid

(2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 134882721) has the molecular formula C20H29NO6Si and a molecular weight of 407.54 g/mol. Its IUPAC name is (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID134882721
Molecular FormulaC20H29NO6Si
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name(2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESC[C@H]1C(=O)N[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)O)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H29NO6Si/c1-13-15(27-17(23)14-10-8-7-9-11-14)20(18(24)25,21-16(13)22)12-26-28(5,6)19(2,3)4/h7-11,13,15H,12H2,1-6H3,(H,21,22)(H,24,25)/t13-,15-,20+/m1/s1
InChIKeyVHXFNMDRBBSEOH-RCDCFZSISA-N
XLogP2.82
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-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

Related Compounds

(2R,3S,4R)-4-(2-benzoyloxyethyl)-2-[(R)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 16724938
methyl (2R,3S)-3-benzoyloxy-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11025627
tert-butyl (4S,7R,8R)-8-benzoyloxy-7-methyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 11953309
ethyl (2S)-2-[(1R)-2-methyl-1-phenylmethoxypropyl]-5-oxopyrrolidine-2-carboxylate
CID 45102843
benzyl (2R,3S)-2-[(1R)-1-benzoyloxyethyl]-4-methylidene-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 56600618
benzyl (2R)-2-[(1R)-1-benzoyloxyethyl]-4-methylidene-5-oxopyrrolidine-2-carboxylate
CID 56601310
benzyl (2R,3R)-2-[(1R)-1-benzoyloxyethyl]-3-hydroxy-4-methylidene-5-oxopyrrolidine-2-carboxylate
CID 72375249
benzyl (2R,3S)-3-hydroxy-4-methylidene-5-oxo-2-propan-2-ylpyrrolidine-2-carboxylate
CID 72375349
benzyl (2R,3S)-3-hydroxy-4-methylidene-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylate
CID 72375350
benzyl (2R,3S)-2-benzyl-3-hydroxy-4-methylidene-5-oxopyrrolidine-2-carboxylate
CID 72375351
tert-butyl (3R,4R)-3-benzoyloxy-2,2-bis(hydroxymethyl)-4-methyl-5-oxopyrrolidine-1-carboxylate
CID 102253849
(s)-4-[(r)-1-(Benzoyloxy)-10-oxohexadecyl]-2-oxooxazolidine-4-carboxylic acid
CID 129734111

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 134882721) is (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid is C[C@H]1C(=O)N[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)O)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is VHXFNMDRBBSEOH-RCDCFZSISA-N. The full InChI is InChI=1S/C20H29NO6Si/c1-13-15(27-17(23)14-10-8-7-9-11-14)20(18(24)25,21-16(13)22)12-26-28(5,6)19(2,3)4/h7-11,13,15H,12H2,1-6H3,(H,21,22)(H,24,25)/t13-,15-,20+/m1/s1.
What are the key properties of (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid?
(2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 407.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 134882721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).