tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

C30H51N3O5Si — CID 67959632

About tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 67959632) has the molecular formula C30H51N3O5Si and a molecular weight of 561.84 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 67959632
• Molecular Formula: C30H51N3O5Si
• Molecular Weight: 561.84 g/mol
• Exact Mass: 561.36
• IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)N1CCCCC1
• InChI: InChI=1S/C30H51N3O5Si/c1-21(2)25(32-28(36)37-29(3,4)5)26(34)31-24(27(35)33-17-12-11-13-18-33)20-22-15-14-16-23(19-22)38-39(9,10)30(6,7)8/h14-16,19,21,24-25H,11-13,17-18,20H2,1-10H3,(H,31,34)(H,32,36)/t24-,25-/m0/s1
• InChIKey: XQBRXODLQMJVBS-DQEYMECFSA-N
• XLogP: 5.66
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.84
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 67959632) is tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)N1CCCCC1.

What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is XQBRXODLQMJVBS-DQEYMECFSA-N. The full InChI is InChI=1S/C30H51N3O5Si/c1-21(2)25(32-28(36)37-29(3,4)5)26(34)31-24(27(35)33-17-12-11-13-18-33)20-22-15-14-16-23(19-22)38-39(9,10)30(6,7)8/h14-16,19,21,24-25H,11-13,17-18,20H2,1-10H3,(H,31,34)(H,32,36)/t24-,25-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?

tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 561.84 g/mol, XLogP of 5.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 67959632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).