4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

C17H34N2O5Si — CID 67130134

About 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 67130134) has the molecular formula C17H34N2O5Si and a molecular weight of 374.55 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
• PubChem CID: 67130134
• Molecular Formula: C17H34N2O5Si
• Molecular Weight: 374.55 g/mol
• Exact Mass: 374.22
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NC1CN(C(=O)O)CCC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C17H34N2O5Si/c1-16(2,3)23-14(20)18-12-11-19(15(21)22)10-9-13(12)24-25(7,8)17(4,5)6/h12-13H,9-11H2,1-8H3,(H,18,20)(H,21,22)
• InChIKey: HZRCBSPKOFHZMB-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.55
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (CID 67130134) is 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)NC1CN(C(=O)O)CCC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?

The InChIKey is HZRCBSPKOFHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O5Si/c1-16(2,3)23-14(20)18-12-11-19(15(21)22)10-9-13(12)24-25(7,8)17(4,5)6/h12-13H,9-11H2,1-8H3,(H,18,20)(H,21,22).

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?

4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 374.55 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67130134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).