(2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid

C₁₀H₁₄N₂O₂ — CID 142077884

About (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid

(2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid (PubChem CID 142077884) has the molecular formula C₁₀H₁₄N₂O₂ and a molecular weight of 194.23 g/mol. Its IUPAC name is (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid.

Molecular Properties

• Compound Name: (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid
• PubChem CID: 142077884
• Molecular Formula: C₁₀H₁₄N₂O₂
• Molecular Weight: 194.23 g/mol
• Exact Mass: 194.11
• IUPAC Name: (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid
• SMILES: CC1(N)/C=C\C(C)(C(=O)O)/C=C\N=C/1
• InChI: InChI=1S/C10H14N2O2/c1-9(8(13)14)3-4-10(2,11)7-12-6-5-9/h3-7H,11H2,1-2H3,(H,13,14)/b4-3-,6-5-,12-7-
• InChIKey: BYGFGQLRMPTZOS-SMXSWDIRSA-N
• XLogP: 0.95
• TPSA: 75.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.23
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid?

The IUPAC name of (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid (CID 142077884) is (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid.

What is the SMILES notation for (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid?

The canonical SMILES for (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid is CC1(N)/C=C\C(C)(C(=O)O)/C=C\N=C/1.

What is the InChIKey of (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid?

The InChIKey is BYGFGQLRMPTZOS-SMXSWDIRSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-9(8(13)14)3-4-10(2,11)7-12-6-5-9/h3-7H,11H2,1-2H3,(H,13,14)/b4-3-,6-5-,12-7-.

What are the key properties of (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid?

(2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-7-amino-4,7-dimethylazocine-4-carboxylic acid is sourced from PubChem (CID 142077884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142077884 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.