tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate

C21H35NO3Si — CID 58641212

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)24-19(23)22-15-17(25-26(7,8)21(4,5)6)14-18(22)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m1/s1
InChIKeyRFWNCJXLIVDXKF-MSOLQXFVSA-N
MW377.60 g/mol
LogP5.76
Rot. Bonds3

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate (PubChem CID 58641212) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate
PubChem CID58641212
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)24-19(23)22-15-17(25-26(7,8)21(4,5)6)14-18(22)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m1/s1
InChIKeyRFWNCJXLIVDXKF-MSOLQXFVSA-N
XLogP5.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-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

tert-butyl (4S,5S)-4-benzyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
CID 21967723
(2SR,3SR)-N-t-Butoxycarbonyl-2-benzyl-3-pyrrolidinol
CID 11129586
tert-butyl (2S,4R)-2-(4-fluorophenyl)-4-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
CID 53242249
3-[(1R,2S)-2-fluoro-2-phenyl-1-(4-trimethylsilylphenyl)ethyl]-1,3-oxazolidin-2-one
CID 162406451
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-formylphenyl)pyrrolidine-1-carboxylate
CID 10644997
(+)-(2S,3S,4S,5S)-(N-t-Butyloxycarbonyl)-2-benzyl-4,5-dimethyl-3-hydroxy-pyrrolidine
CID 15395694
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
(4S)-3-ethyl-4-phenyl-1,3-oxazolidin-2-one
CID 60001424
3-Ethyl-4-phenyloxazolidin-2-one
CID 72619042
(4S)-4-benzyl-3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 141535283
tert-butyl (2S,3S,5R)-2-benzyl-3-hydroxy-5-nonylpyrrolidine-1-carboxylate
CID 375617
2-Methyl-3-(r)-((tert-butyldimethylsilyloxy)methyl)-4-(s)-(3-fluorophenyl)-1-tert-butoxycarbonylpyrrolidine
CID 20664067

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate (CID 58641212) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is RFWNCJXLIVDXKF-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-20(2,3)24-19(23)22-15-17(25-26(7,8)21(4,5)6)14-18(22)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 377.60 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 58641212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).