bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate

C22H28Cl2CoN6O13 — CID 11549401

About bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate

bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate (PubChem CID 11549401) has the molecular formula C22H28Cl2CoN6O13 and a molecular weight of 714.33 g/mol. Its IUPAC name is bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate.

Molecular Properties

• Compound Name: bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate
• PubChem CID: 11549401
• Molecular Formula: C22H28Cl2CoN6O13
• Molecular Weight: 714.33 g/mol
• Exact Mass: 713.04
• IUPAC Name: bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate
• SMILES: N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO.N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO.O.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C11H13N3O2.2ClHO4.Co.H2O/c2*12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10;2*2-1(3,4)5;;/h2*1-4,6,9,13,16H,5,12H2,(H,14,15);2*(H,2,3,4,5);;1H2/q;;;;+2;/p-2/t2*9-;;;;/m11..../s1
• InChIKey: ATLOTNGQGMPLFS-LTITYVEBSA-L
• XLogP: -9.25
• TPSA: 398.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	714.33
LogP ≤ 5	-9.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate?

The IUPAC name of bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate (CID 11549401) is bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate.

What is the SMILES notation for bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate?

The canonical SMILES for bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate is N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO.N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO.O.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate?

The InChIKey is ATLOTNGQGMPLFS-LTITYVEBSA-L. The full InChI is InChI=1S/2C11H13N3O2.2ClHO4.Co.H2O/c2*12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10;2*2-1(3,4)5;;/h2*1-4,6,9,13,16H,5,12H2,(H,14,15);2*(H,2,3,4,5);;1H2/q;;;;+2;/p-2/t2*9-;;;;/m11..../s1.

What are the key properties of bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate?

bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate has a molecular weight of 714.33 g/mol, XLogP of -9.25, 6 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate is sourced from PubChem (CID 11549401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).