tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate

C37H48N2O4Si — CID 15349855

IUPACtert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate
SMILESCC(C)CC(NC(=O)c1ccccc1)[Si](CC(C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48N2O4Si/c1-27(2)25-33(38-34(40)29-17-10-7-11-18-29)44(30-19-12-8-13-20-30,31-21-14-9-15-22-31)26-28(3)35(41)39-24-16-23-32(39)36(42)43-37(4,5)6/h7-15,17-22,27-28,32-33H,16,23-26H2,1-6H3,(H,38,40)/t28?,32-,33?/m0/s1
InChIKeyYIDDAYOMTSJHGY-DDWOKDRJSA-N
MW612.89 g/mol
LogP5.60
Rot. Bonds11

About tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate (PubChem CID 15349855) has the molecular formula C37H48N2O4Si and a molecular weight of 612.89 g/mol. Its IUPAC name is tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate
PubChem CID15349855
Molecular FormulaC37H48N2O4Si
Molecular Weight612.89 g/mol
Exact Mass612.34
IUPAC Nametert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate
SMILESCC(C)CC(NC(=O)c1ccccc1)[Si](CC(C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48N2O4Si/c1-27(2)25-33(38-34(40)29-17-10-7-11-18-29)44(30-19-12-8-13-20-30,31-21-14-9-15-22-31)26-28(3)35(41)39-24-16-23-32(39)36(42)43-37(4,5)6/h7-15,17-22,27-28,32-33H,16,23-26H2,1-6H3,(H,38,40)/t28?,32-,33?/m0/s1
InChIKeyYIDDAYOMTSJHGY-DDWOKDRJSA-N
XLogP5.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.89
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate
CID 101185925
(2S)-1-[(2R)-3-[[(1R)-1-benzamido-2-phenylethyl]-dihydroxysilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 11328897
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-[5-benzamido-6-(methanesulfonamido)-4-oxohexanoyl]pyrrolidine-2-carboxylate
CID 70543454
tert-butyl (2S)-1-[(2S)-2-[[(2R)-2-bromo-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 70459339
(3S)-4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 102601946
tert-butyl (2S)-1-[(2S,5R)-2-methyl-4-oxo-6-phenyl-5-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate
CID 70519619
tert-butyl (2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate
CID 10715003
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
methyl (2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 11567002
tert-butyl (2S)-1-[(5R)-5-benzamido-6-(4-nitrophenyl)-4-oxohexanoyl]pyrrolidine-2-carboxylate
CID 70543344

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate (CID 15349855) is tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate is CC(C)CC(NC(=O)c1ccccc1)[Si](CC(C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate?
The InChIKey is YIDDAYOMTSJHGY-DDWOKDRJSA-N. The full InChI is InChI=1S/C37H48N2O4Si/c1-27(2)25-33(38-34(40)29-17-10-7-11-18-29)44(30-19-12-8-13-20-30,31-21-14-9-15-22-31)26-28(3)35(41)39-24-16-23-32(39)36(42)43-37(4,5)6/h7-15,17-22,27-28,32-33H,16,23-26H2,1-6H3,(H,38,40)/t28?,32-,33?/m0/s1.
What are the key properties of tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate has a molecular weight of 612.89 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 15349855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).