(4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H24N2O6 — CID 97190433

About (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97190433) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97190433
• Molecular Formula: C19H24N2O6
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.16
• IUPAC Name: (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: COc1ccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1C(=O)O
• InChI: InChI=1S/C19H24N2O6/c1-20-16(22)10-14(18(25)26)19(20)5-7-21(8-6-19)11-12-3-4-15(27-2)13(9-12)17(23)24/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,23,24)(H,25,26)/t14-/m1/s1
• InChIKey: ZIRYURXWVPXZKQ-CQSZACIVSA-N
• XLogP: 1.29
• TPSA: 107.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97190433) is (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is COc1ccc(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1C(=O)O.

What is the InChIKey of (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is ZIRYURXWVPXZKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-20-16(22)10-14(18(25)26)19(20)5-7-21(8-6-19)11-12-3-4-15(27-2)13(9-12)17(23)24/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,23,24)(H,25,26)/t14-/m1/s1.

What are the key properties of (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-8-[(3-carboxy-4-methoxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97190433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).