8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

C29H36N2O5 — CID 71305275

About 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (PubChem CID 71305275) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.

Molecular Properties

• Compound Name: 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
• PubChem CID: 71305275
• Molecular Formula: C29H36N2O5
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.26
• IUPAC Name: 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO)N(C(=O)OCC1c3ccccc3-c3ccccc31)C2
• InChI: InChI=1S/C29H36N2O5/c1-28(2,3)36-26(33)30-14-12-29(13-15-30)16-20(17-32)31(19-29)27(34)35-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-11,20,25,32H,12-19H2,1-3H3
• InChIKey: SAHYNFDHXJHWBI-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?

The IUPAC name of 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (CID 71305275) is 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.

What is the SMILES notation for 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?

The canonical SMILES for 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO)N(C(=O)OCC1c3ccccc3-c3ccccc31)C2.

What is the InChIKey of 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?

The InChIKey is SAHYNFDHXJHWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-28(2,3)36-26(33)30-14-12-29(13-15-30)16-20(17-32)31(19-29)27(34)35-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-11,20,25,32H,12-19H2,1-3H3.

What are the key properties of 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?

8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate has a molecular weight of 492.62 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is sourced from PubChem (CID 71305275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).