8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C20H29N3O4 — CID 70769440

About 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70769440) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 70769440
• Molecular Formula: C20H29N3O4
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.22
• IUPAC Name: 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: CN[C@@H](CO)C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(OC)c1)C2
• InChI: InChI=1S/C20H29N3O4/c1-21-17(13-24)19(26)22-8-6-20(7-9-22)11-18(25)23(14-20)12-15-4-3-5-16(10-15)27-2/h3-5,10,17,21,24H,6-9,11-14H2,1-2H3/t17-/m0/s1
• InChIKey: OMCSSYJKOBNVAK-KRWDZBQOSA-N
• XLogP: 0.62
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70769440) is 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is CN[C@@H](CO)C(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(OC)c1)C2.

What is the InChIKey of 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is OMCSSYJKOBNVAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-21-17(13-24)19(26)22-8-6-20(7-9-22)11-18(25)23(14-20)12-15-4-3-5-16(10-15)27-2/h3-5,10,17,21,24H,6-9,11-14H2,1-2H3/t17-/m0/s1.

What are the key properties of 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 375.47 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70769440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).