methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate

C19H24ClN3O4 — CID 70748143

About methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate

methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate (PubChem CID 70748143) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
• PubChem CID: 70748143
• Molecular Formula: C19H24ClN3O4
• Molecular Weight: 393.87 g/mol
• Exact Mass: 393.15
• IUPAC Name: methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
• SMILES: COC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
• InChI: InChI=1S/C19H24ClN3O4/c1-27-17(25)11-21-18(26)22-8-6-19(7-9-22)10-16(24)23(13-19)12-14-2-4-15(20)5-3-14/h2-5H,6-13H2,1H3,(H,21,26)
• InChIKey: GBRWKBUAUQJKOS-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.87
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

The IUPAC name of methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate (CID 70748143) is methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate.

What is the SMILES notation for methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

The canonical SMILES for methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.

What is the InChIKey of methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

The InChIKey is GBRWKBUAUQJKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-27-17(25)11-21-18(26)22-8-6-19(7-9-22)10-16(24)23(13-19)12-14-2-4-15(20)5-3-14/h2-5H,6-13H2,1H3,(H,21,26).

What are the key properties of methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate has a molecular weight of 393.87 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate is sourced from PubChem (CID 70748143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).