(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone

C21H29NO2 — CID 164710036

About (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164710036) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 164710036
• Molecular Formula: C21H29NO2
• Molecular Weight: 327.47 g/mol
• Exact Mass: 327.22
• IUPAC Name: (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: C[C@@H](c1ccccc1)[C@@H]1CCC2(C1)CN(C(=O)C1CC(C)(O)C1)C2
• InChI: InChI=1S/C21H29NO2/c1-15(16-6-4-3-5-7-16)17-8-9-21(12-17)13-22(14-21)19(23)18-10-20(2,24)11-18/h3-7,15,17-18,24H,8-14H2,1-2H3/t15-,17+,18?,20?/m0/s1
• InChIKey: LPQFZJFXFSWPTO-JQZVFVSYSA-N
• XLogP: 3.58
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.47
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone (CID 164710036) is (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone is C[C@@H](c1ccccc1)[C@@H]1CCC2(C1)CN(C(=O)C1CC(C)(O)C1)C2.

What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is LPQFZJFXFSWPTO-JQZVFVSYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-15(16-6-4-3-5-7-16)17-8-9-21(12-17)13-22(14-21)19(23)18-10-20(2,24)11-18/h3-7,15,17-18,24H,8-14H2,1-2H3/t15-,17+,18?,20?/m0/s1.

What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone?

(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 327.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-3-methylcyclobutyl)-[(6R)-6-[(1R)-1-phenylethyl]-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164710036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).