(2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid

C28H53NO5Si — CID 134852792

About (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid

(2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 134852792) has the molecular formula C28H53NO5Si and a molecular weight of 511.82 g/mol. Its IUPAC name is (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid
• PubChem CID: 134852792
• Molecular Formula: C28H53NO5Si
• Molecular Weight: 511.82 g/mol
• Exact Mass: 511.37
• IUPAC Name: (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid
• SMILES: CCCC[C@H](CCC1CCCCC12CC[C@H](C(=O)O)N2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H53NO5Si/c1-10-11-15-22(34-35(8,9)27(5,6)7)17-16-21-14-12-13-19-28(21)20-18-23(24(30)31)29(28)25(32)33-26(2,3)4/h21-23H,10-20H2,1-9H3,(H,30,31)/t21?,22-,23-,28?/m1/s1
• InChIKey: NJZJBRNWJIJYHS-AUQBZJPASA-N
• XLogP: 7.76
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.82
LogP ≤ 5	7.76
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 (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid?

The IUPAC name of (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid (CID 134852792) is (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid.

What is the SMILES notation for (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid?

The canonical SMILES for (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid is CCCC[C@H](CCC1CCCCC12CC[C@H](C(=O)O)N2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid?

The InChIKey is NJZJBRNWJIJYHS-AUQBZJPASA-N. The full InChI is InChI=1S/C28H53NO5Si/c1-10-11-15-22(34-35(8,9)27(5,6)7)17-16-21-14-12-13-19-28(21)20-18-23(24(30)31)29(28)25(32)33-26(2,3)4/h21-23H,10-20H2,1-9H3,(H,30,31)/t21?,22-,23-,28?/m1/s1.

What are the key properties of (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid?

(2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 511.82 g/mol, XLogP of 7.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 134852792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).