tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

C24H41NO5Si — CID 135011741

IUPACtert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H41NO5Si/c1-23(2,3)30-22(27)25-14-19(16-28-15-18-12-10-9-11-13-18)21(26)20(25)17-29-31(7,8)24(4,5)6/h9-13,19-21,26H,14-17H2,1-8H3/t19-,20+,21-/m1/s1
InChIKeyOFKBFPDECLCTEU-QHAWAJNXSA-N
MW451.68 g/mol
LogP4.82
Rot. Bonds7

About tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 135011741) has the molecular formula C24H41NO5Si and a molecular weight of 451.68 g/mol. Its IUPAC name is tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID135011741
Molecular FormulaC24H41NO5Si
Molecular Weight451.68 g/mol
Exact Mass451.28
IUPAC Nametert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H41NO5Si/c1-23(2,3)30-22(27)25-14-19(16-28-15-18-12-10-9-11-13-18)21(26)20(25)17-29-31(7,8)24(4,5)6/h9-13,19-21,26H,14-17H2,1-8H3/t19-,20+,21-/m1/s1
InChIKeyOFKBFPDECLCTEU-QHAWAJNXSA-N
XLogP4.82
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.68
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate 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,3r,4r)-N-benzyloxylcarbonyl-2-benzyloxymethyl-4-fluoro-3-hydroxyl-pyrrolidine
CID 129713816
Benzyl 2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
CID 85248335
tert-Butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
CID 58420330
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
Benzyl 2-(hydroxymethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 139708118
benzyl (2S,4R)-2-(hydroxymethyl)-4-(1-methylcyclobutyl)oxypyrrolidine-1-carboxylate
CID 144223185
benzyl (4S,5aS,8R,8aR)-8-(hydroxymethyl)-4-(2-methylpropyl)-2,3,4,5,5a,6,8,8a-octahydrooxepino[2,3-c]pyrrole-7-carboxylate
CID 162418687
Benzyl 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 390240
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68284093
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 68284253
tert-butyl (2S,4R)-4-[(3-fluorophenyl)methoxy]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 89989930
tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 91159774

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate (CID 135011741) is tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is OFKBFPDECLCTEU-QHAWAJNXSA-N. The full InChI is InChI=1S/C24H41NO5Si/c1-23(2,3)30-22(27)25-14-19(16-28-15-18-12-10-9-11-13-18)21(26)20(25)17-29-31(7,8)24(4,5)6/h9-13,19-21,26H,14-17H2,1-8H3/t19-,20+,21-/m1/s1.
What are the key properties of tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 451.68 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(phenylmethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 135011741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).