3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid

C19H37NO5Si — CID 174082699

About 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid

3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid (PubChem CID 174082699) has the molecular formula C19H37NO5Si and a molecular weight of 387.59 g/mol. Its IUPAC name is 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
• PubChem CID: 174082699
• Molecular Formula: C19H37NO5Si
• Molecular Weight: 387.59 g/mol
• Exact Mass: 387.24
• IUPAC Name: 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
• SMILES: CC(C)(C)OC(=O)N1CCCC(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O
• InChI: InChI=1S/C19H37NO5Si/c1-18(2,3)24-17(23)20-13-9-10-15(14(20)11-12-16(21)22)25-26(7,8)19(4,5)6/h14-15H,9-13H2,1-8H3,(H,21,22)/t14-,15?/m1/s1
• InChIKey: WXWSTCBLLSNGFC-GICMACPYSA-N
• XLogP: 4.64
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
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 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid?

The IUPAC name of 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid (CID 174082699) is 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid.

What is the SMILES notation for 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid?

The canonical SMILES for 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid is CC(C)(C)OC(=O)N1CCCC(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O.

What is the InChIKey of 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid?

The InChIKey is WXWSTCBLLSNGFC-GICMACPYSA-N. The full InChI is InChI=1S/C19H37NO5Si/c1-18(2,3)24-17(23)20-13-9-10-15(14(20)11-12-16(21)22)25-26(7,8)19(4,5)6/h14-15H,9-13H2,1-8H3,(H,21,22)/t14-,15?/m1/s1.

What are the key properties of 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid?

3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 387.59 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 174082699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).