methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate

C19H24F2N2O3 — CID 97130235

About methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate

methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate (PubChem CID 97130235) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate
• PubChem CID: 97130235
• Molecular Formula: C19H24F2N2O3
• Molecular Weight: 366.41 g/mol
• Exact Mass: 366.18
• IUPAC Name: methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate
• SMILES: COC(=O)[C@H](C)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
• InChI: InChI=1S/C19H24F2N2O3/c1-13(18(25)26-2)22-5-3-19(4-6-22)10-17(24)23(12-19)11-14-7-15(20)9-16(21)8-14/h7-9,13H,3-6,10-12H2,1-2H3/t13-/m0/s1
• InChIKey: CKOOLZSXAKPOQA-ZDUSSCGKSA-N
• XLogP: 2.34
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.41
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate?

The IUPAC name of methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate (CID 97130235) is methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate.

What is the SMILES notation for methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate?

The canonical SMILES for methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate is COC(=O)[C@H](C)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.

What is the InChIKey of methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate?

The InChIKey is CKOOLZSXAKPOQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24F2N2O3/c1-13(18(25)26-2)22-5-3-19(4-6-22)10-17(24)23(12-19)11-14-7-15(20)9-16(21)8-14/h7-9,13H,3-6,10-12H2,1-2H3/t13-/m0/s1.

What are the key properties of methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate?

methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate has a molecular weight of 366.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate is sourced from PubChem (CID 97130235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).