copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate

C15H24CuN6O4 — CID 10251304

About copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate

copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate (PubChem CID 10251304) has the molecular formula C15H24CuN6O4 and a molecular weight of 415.94 g/mol. Its IUPAC name is copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate.

Molecular Properties

• Compound Name: copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate
• PubChem CID: 10251304
• Molecular Formula: C15H24CuN6O4
• Molecular Weight: 415.94 g/mol
• Exact Mass: 415.12
• IUPAC Name: copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate
• SMILES: Cc1nc[n-]c1CC(NC(=O)CN)C(=O)NC(CCCCN)C(=O)[O-].[Cu+2]
• InChI: InChI=1S/C15H26N6O4.Cu/c1-9-11(19-8-18-9)6-12(20-13(22)7-17)14(23)21-10(15(24)25)4-2-3-5-16;/h8,10,12H,2-7,16-17H2,1H3,(H4,18,19,20,21,22,23,24,25);/q;+2/p-2
• InChIKey: APTMOMDREWRONR-UHFFFAOYSA-L
• XLogP: -3.31
• TPSA: 177.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.94
LogP ≤ 5	-3.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate?

The IUPAC name of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate (CID 10251304) is copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate.

What is the SMILES notation for copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate?

The canonical SMILES for copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate is Cc1nc[n-]c1CC(NC(=O)CN)C(=O)NC(CCCCN)C(=O)[O-].[Cu+2].

What is the InChIKey of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate?

The InChIKey is APTMOMDREWRONR-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H26N6O4.Cu/c1-9-11(19-8-18-9)6-12(20-13(22)7-17)14(23)21-10(15(24)25)4-2-3-5-16;/h8,10,12H,2-7,16-17H2,1H3,(H4,18,19,20,21,22,23,24,25);/q;+2/p-2.

What are the key properties of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate?

copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate has a molecular weight of 415.94 g/mol, XLogP of -3.31, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(5-methylimidazol-3-id-4-yl)propanoyl]amino]hexanoate is sourced from PubChem (CID 10251304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).