methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate

C27H40N2O5Si — CID 23659182

IUPACmethyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1CC=C[C@H]1C[C@H](C[C@@H]1C=CCN1C(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H40N2O5Si/c1-27(2,3)35(5,6)34-24(18-22-14-10-16-28(22)25(30)32-4)19-23-15-11-17-29(23)26(31)33-20-21-12-8-7-9-13-21/h7-15,22-24H,16-20H2,1-6H3/t22-,23-,24+/m0/s1
InChIKeyLIASQNDZLADBHV-KMDXXIMOSA-N
MW500.71 g/mol
LogP5.74
Rot. Bonds8

About methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate

methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate (PubChem CID 23659182) has the molecular formula C27H40N2O5Si and a molecular weight of 500.71 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate
PubChem CID23659182
Molecular FormulaC27H40N2O5Si
Molecular Weight500.71 g/mol
Exact Mass500.27
IUPAC Namemethyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1CC=C[C@H]1C[C@H](C[C@@H]1C=CCN1C(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H40N2O5Si/c1-27(2,3)35(5,6)34-24(18-22-14-10-16-28(22)25(30)32-4)19-23-15-11-17-29(23)26(31)33-20-21-12-8-7-9-13-21/h7-15,22-24H,16-20H2,1-6H3/t22-,23-,24+/m0/s1
InChIKeyLIASQNDZLADBHV-KMDXXIMOSA-N
XLogP5.74
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.71
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate with MolForge

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Related Compounds

dimethyl 2-[[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidin-2-yl]methyl]propanedioate
CID 15671502
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
benzyl (3S)-3-methoxycarbonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 102276976
3-oxo-4-[(2S)-1-[(2S)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propan-2-yl]quinoxaline-2-carboxylic acid
CID 71024555
1-O-benzyl 2-O-methyl (2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylpyrrolidine-1,2-dicarboxylate
CID 169225497
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 100997156
benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-methoxy-1-oxopent-4-en-2-yl)pyrrolidine-1-carboxylate
CID 10551415
1-O-benzyl 2-O-methyl (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 155793123
benzyl (3R,4S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-(phenylmethoxycarbonylamino)-2,3,4,7-tetrahydroazepine-1-carboxylate
CID 155622770
benzyl 3-[tert-butyl(dimethyl)silyl]oxy-6-dimethoxyphosphoryl-5-oxohexanoate
CID 57057471
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate (CID 23659182) is methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate is COC(=O)N1CC=C[C@H]1C[C@H](C[C@@H]1C=CCN1C(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is LIASQNDZLADBHV-KMDXXIMOSA-N. The full InChI is InChI=1S/C27H40N2O5Si/c1-27(2,3)35(5,6)34-24(18-22-14-10-16-28(22)25(30)32-4)19-23-15-11-17-29(23)26(31)33-20-21-12-8-7-9-13-21/h7-15,22-24H,16-20H2,1-6H3/t22-,23-,24+/m0/s1.
What are the key properties of methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate?
methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 500.71 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 23659182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).