copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate

C9H12CuN4O3 — CID 10469330

IUPACcopper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate
SMILESCNCC(=O)NC(Cc1c[n-]cn1)C(=O)[O-].[Cu+2]
InChIInChI=1S/C9H14N4O3.Cu/c1-10-4-8(14)13-7(9(15)16)2-6-3-11-5-12-6;/h3,5,7,10H,2,4H2,1H3,(H3,11,12,13,14,15,16);/q;+2/p-2
InChIKeyLIIOGNPNZMETNH-UHFFFAOYSA-L
MW287.77 g/mol
LogP-2.97
Rot. Bonds6

About copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate

copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate (PubChem CID 10469330) has the molecular formula C9H12CuN4O3 and a molecular weight of 287.77 g/mol. Its IUPAC name is copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Namecopper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate
PubChem CID10469330
Molecular FormulaC9H12CuN4O3
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Namecopper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate
SMILESCNCC(=O)NC(Cc1c[n-]cn1)C(=O)[O-].[Cu+2]
InChIInChI=1S/C9H14N4O3.Cu/c1-10-4-8(14)13-7(9(15)16)2-6-3-11-5-12-6;/h3,5,7,10H,2,4H2,1H3,(H3,11,12,13,14,15,16);/q;+2/p-2
InChIKeyLIIOGNPNZMETNH-UHFFFAOYSA-L
XLogP-2.97
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 5-2.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate?
The IUPAC name of copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate (CID 10469330) is copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate.
What is the SMILES notation for copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate?
The canonical SMILES for copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate is CNCC(=O)NC(Cc1c[n-]cn1)C(=O)[O-].[Cu+2].
What is the InChIKey of copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate?
The InChIKey is LIIOGNPNZMETNH-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14N4O3.Cu/c1-10-4-8(14)13-7(9(15)16)2-6-3-11-5-12-6;/h3,5,7,10H,2,4H2,1H3,(H3,11,12,13,14,15,16);/q;+2/p-2.
What are the key properties of copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate?
copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate has a molecular weight of 287.77 g/mol, XLogP of -2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper 3-imidazol-1-id-4-yl-2-[[2-(methylamino)acetyl]amino]propanoate is sourced from PubChem (CID 10469330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).