copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

C14H29CuN7O4+2 — CID 10002390

About copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid (PubChem CID 10002390) has the molecular formula C14H29CuN7O4+2 and a molecular weight of 422.98 g/mol. Its IUPAC name is copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
• PubChem CID: 10002390
• Molecular Formula: C14H29CuN7O4+2
• Molecular Weight: 422.98 g/mol
• Exact Mass: 422.16
• IUPAC Name: copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
• SMILES: NCCCCC(NC(=O)C(CCCN=C(N)N)NC(=O)CN)C(=O)O.[Cu+2]
• InChI: InChI=1S/C14H29N7O4.Cu/c15-6-2-1-4-10(13(24)25)21-12(23)9(20-11(22)8-16)5-3-7-19-14(17)18;/h9-10H,1-8,15-16H2,(H,20,22)(H,21,23)(H,24,25)(H4,17,18,19);/q;+2
• InChIKey: AIEOQWDXGWOTNC-UHFFFAOYSA-N
• XLogP: -2.82
• TPSA: 211.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.98
LogP ≤ 5	-2.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid?

The IUPAC name of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid (CID 10002390) is copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid.

What is the SMILES notation for copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid?

The canonical SMILES for copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid is NCCCCC(NC(=O)C(CCCN=C(N)N)NC(=O)CN)C(=O)O.[Cu+2].

What is the InChIKey of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid?

The InChIKey is AIEOQWDXGWOTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N7O4.Cu/c15-6-2-1-4-10(13(24)25)21-12(23)9(20-11(22)8-16)5-3-7-19-14(17)18;/h9-10H,1-8,15-16H2,(H,20,22)(H,21,23)(H,24,25)(H4,17,18,19);/q;+2.

What are the key properties of copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid?

copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid has a molecular weight of 422.98 g/mol, XLogP of -2.82, 13 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper 6-amino-2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid is sourced from PubChem (CID 10002390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).