(4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H20N4O4 — CID 97119499

About (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97119499) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97119499
• Molecular Formula: C15H20N4O4
• Molecular Weight: 320.35 g/mol
• Exact Mass: 320.15
• IUPAC Name: (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: O=C1C[C@H](C(=O)O)C2(CCN(Cc3noc(C4CC4)n3)CC2)N1
• InChI: InChI=1S/C15H20N4O4/c20-12-7-10(14(21)22)15(17-12)3-5-19(6-4-15)8-11-16-13(23-18-11)9-1-2-9/h9-10H,1-8H2,(H,17,20)(H,21,22)/t10-/m1/s1
• InChIKey: ZWLXYSNBLKLPEK-SNVBAGLBSA-N
• XLogP: 0.50
• TPSA: 108.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.35
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97119499) is (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1C[C@H](C(=O)O)C2(CCN(Cc3noc(C4CC4)n3)CC2)N1.

What is the InChIKey of (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is ZWLXYSNBLKLPEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-12-7-10(14(21)22)15(17-12)3-5-19(6-4-15)8-11-16-13(23-18-11)9-1-2-9/h9-10H,1-8H2,(H,17,20)(H,21,22)/t10-/m1/s1.

What are the key properties of (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97119499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).