tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate

C33H49NO4Si — CID 59701356

IUPACtert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
SMILESCC(C)[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C33H49NO4Si/c1-24(2)29(31(36)37-32(3,4)5)34(9)30(35)25-17-16-18-26(23-25)38-39(33(6,7)8,27-19-12-10-13-20-27)28-21-14-11-15-22-28/h10-15,19-22,24-26,29H,16-18,23H2,1-9H3/t25?,26?,29-/m0/s1
InChIKeyWBGINVOKWRJAQX-XSLSENLXSA-N
MW551.84 g/mol
LogP5.95
Rot. Bonds8

About tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate

tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate (PubChem CID 59701356) has the molecular formula C33H49NO4Si and a molecular weight of 551.84 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
PubChem CID59701356
Molecular FormulaC33H49NO4Si
Molecular Weight551.84 g/mol
Exact Mass551.34
IUPAC Nametert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
SMILESCC(C)[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C33H49NO4Si/c1-24(2)29(31(36)37-32(3,4)5)34(9)30(35)25-17-16-18-26(23-25)38-39(33(6,7)8,27-19-12-10-13-20-27)28-21-14-11-15-22-28/h10-15,19-22,24-26,29H,16-18,23H2,1-9H3/t25?,26?,29-/m0/s1
InChIKeyWBGINVOKWRJAQX-XSLSENLXSA-N
XLogP5.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.84
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate?
The IUPAC name of tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate (CID 59701356) is tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate?
The canonical SMILES for tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate is CC(C)[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate?
The InChIKey is WBGINVOKWRJAQX-XSLSENLXSA-N. The full InChI is InChI=1S/C33H49NO4Si/c1-24(2)29(31(36)37-32(3,4)5)34(9)30(35)25-17-16-18-26(23-25)38-39(33(6,7)8,27-19-12-10-13-20-27)28-21-14-11-15-22-28/h10-15,19-22,24-26,29H,16-18,23H2,1-9H3/t25?,26?,29-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate?
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate has a molecular weight of 551.84 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate is sourced from PubChem (CID 59701356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).