tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate

C34H42N2O4Si — CID 10875484

IUPACtert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CCc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc32)C1=O
InChIInChI=1S/C34H42N2O4Si/c1-33(2,3)39-32(38)35-29-21-22-36(31(29)37)30-20-18-24-17-19-25(23-28(24)30)40-41(34(4,5)6,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-17,19,23,29-30H,18,20-22H2,1-6H3,(H,35,38)/t29-,30+/m0/s1
InChIKeyMELPSAPZWINCLX-XZWHSSHBSA-N
MW570.81 g/mol
LogP5.74
Rot. Bonds6

About tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 10875484) has the molecular formula C34H42N2O4Si and a molecular weight of 570.81 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID10875484
Molecular FormulaC34H42N2O4Si
Molecular Weight570.81 g/mol
Exact Mass570.29
IUPAC Nametert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CCc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc32)C1=O
InChIInChI=1S/C34H42N2O4Si/c1-33(2,3)39-32(38)35-29-21-22-36(31(29)37)30-20-18-24-17-19-25(23-28(24)30)40-41(34(4,5)6,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-17,19,23,29-30H,18,20-22H2,1-6H3,(H,35,38)/t29-,30+/m0/s1
InChIKeyMELPSAPZWINCLX-XZWHSSHBSA-N
XLogP5.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.81
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 10875484) is tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CCc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc32)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is MELPSAPZWINCLX-XZWHSSHBSA-N. The full InChI is InChI=1S/C34H42N2O4Si/c1-33(2,3)39-32(38)35-29-21-22-36(31(29)37)30-20-18-24-17-19-25(23-28(24)30)40-41(34(4,5)6,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-17,19,23,29-30H,18,20-22H2,1-6H3,(H,35,38)/t29-,30+/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 570.81 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 10875484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).