1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate

C23H37NO4Si — CID 46915325

IUPAC1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@]1(C(C)C)[C@@H](C)[C@@H]([Si](C)(C)c2ccccc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H37NO4Si/c1-16(2)23(20(25)27-7)17(3)19(15-24(23)21(26)28-22(4,5)6)29(8,9)18-13-11-10-12-14-18/h10-14,16-17,19H,15H2,1-9H3/t17-,19-,23+/m0/s1
InChIKeyROBGZEZVIDTGKM-WCAVRKLYSA-N
MW419.64 g/mol
LogP4.43
Rot. Bonds4

About 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate (PubChem CID 46915325) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate
PubChem CID46915325
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Name1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@]1(C(C)C)[C@@H](C)[C@@H]([Si](C)(C)c2ccccc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H37NO4Si/c1-16(2)23(20(25)27-7)17(3)19(15-24(23)21(26)28-22(4,5)6)29(8,9)18-13-11-10-12-14-18/h10-14,16-17,19H,15H2,1-9H3/t17-,19-,23+/m0/s1
InChIKeyROBGZEZVIDTGKM-WCAVRKLYSA-N
XLogP4.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S,4E)-4-[(3-fluorophenyl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 59166746
1-O-tert-butyl 2-O-methyl (2S)-4-[(3-fluorophenyl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 67555574
1-O-tert-butyl 2-O-methyl 4-[(3-fluorophenyl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 68540028
1-O-tert-butyl 2-O-methyl (4E)-4-[(3-fluorophenyl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 142890360
1-O-tert-butyl 2-O-methyl 2-[(E)-3-(4-fluorophenyl)but-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 176801177
methyl (2S)-2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
CID 46915176
1-O-tert-butyl 2-O-ethyl (2R,3Z)-2-methyl-3-(phenylselanylmethylidene)pyrrolidine-1,2-dicarboxylate
CID 154721668
1-O-tert-butyl 2-O-ethyl (2R,3Z)-2-methyl-3-(phenyltellanylmethylidene)pyrrolidine-1,2-dicarboxylate
CID 154721669
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate
CID 162417430
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4,4-dimethylpentanoate
CID 162417431
1-(tert-Butyl) 2-methyl (2S,4R)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 11340673
Boc-D-aMeaHyp(TBDPS)-OMe
CID 15863905

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate (CID 46915325) is 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate is COC(=O)[C@@]1(C(C)C)[C@@H](C)[C@@H]([Si](C)(C)c2ccccc2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate?
The InChIKey is ROBGZEZVIDTGKM-WCAVRKLYSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-16(2)23(20(25)27-7)17(3)19(15-24(23)21(26)28-22(4,5)6)29(8,9)18-13-11-10-12-14-18/h10-14,16-17,19H,15H2,1-9H3/t17-,19-,23+/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate has a molecular weight of 419.64 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2R,3R,4R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 46915325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).