8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C21H29N3O3 — CID 91940856

About 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91940856) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 91940856
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
• SMILES: C[C@@H](O)[C@H](N)C(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2
• InChI: InChI=1S/C21H29N3O3/c1-16(25)19(22)20(27)23-12-9-21(10-13-23)14-18(26)24(15-21)11-5-8-17-6-3-2-4-7-17/h2-8,16,19,25H,9-15,22H2,1H3/t16-,19+/m1/s1
• InChIKey: HBFPRGAQJPTXOT-APWZRJJASA-N
• XLogP: 1.25
• TPSA: 86.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 91940856) is 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is C[C@@H](O)[C@H](N)C(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2.

What is the InChIKey of 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is HBFPRGAQJPTXOT-APWZRJJASA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16(25)19(22)20(27)23-12-9-21(10-13-23)14-18(26)24(15-21)11-5-8-17-6-3-2-4-7-17/h2-8,16,19,25H,9-15,22H2,1H3/t16-,19+/m1/s1.

What are the key properties of 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 371.48 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91940856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).