2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)

C10H12N2NiO6 — CID 71473778

IUPAC2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)
SMILESCc1occc(=O)c1[O-].NCC(=O)NCC(=O)[O-].[Ni+2]
InChIInChI=1S/C6H6O3.C4H8N2O3.Ni/c1-4-6(8)5(7)2-3-9-4;5-1-3(7)6-2-4(8)9;/h2-3,8H,1H3;1-2,5H2,(H,6,7)(H,8,9);/q;;+2/p-2
InChIKeyAFKCAFWBUPVJJY-UHFFFAOYSA-L
MW314.91 g/mol
LogP-3.17
Rot. Bonds3

About 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)

2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+) (PubChem CID 71473778) has the molecular formula C10H12N2NiO6 and a molecular weight of 314.91 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+).

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)
PubChem CID71473778
Molecular FormulaC10H12N2NiO6
Molecular Weight314.91 g/mol
Exact Mass314.00
IUPAC Name2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)
SMILESCc1occc(=O)c1[O-].NCC(=O)NCC(=O)[O-].[Ni+2]
InChIInChI=1S/C6H6O3.C4H8N2O3.Ni/c1-4-6(8)5(7)2-3-9-4;5-1-3(7)6-2-4(8)9;/h2-3,8H,1H3;1-2,5H2,(H,6,7)(H,8,9);/q;;+2/p-2
InChIKeyAFKCAFWBUPVJJY-UHFFFAOYSA-L
XLogP-3.17
TPSA148.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.91
LogP ≤ 5-3.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)?
The IUPAC name of 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+) (CID 71473778) is 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+).
What is the SMILES notation for 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)?
The canonical SMILES for 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+) is Cc1occc(=O)c1[O-].NCC(=O)NCC(=O)[O-].[Ni+2].
What is the InChIKey of 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)?
The InChIKey is AFKCAFWBUPVJJY-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O3.C4H8N2O3.Ni/c1-4-6(8)5(7)2-3-9-4;5-1-3(7)6-2-4(8)9;/h2-3,8H,1H3;1-2,5H2,(H,6,7)(H,8,9);/q;;+2/p-2.
What are the key properties of 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+)?
2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+) has a molecular weight of 314.91 g/mol, XLogP of -3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]acetate;2-methyl-4-oxopyran-3-olate;nickel(2+) is sourced from PubChem (CID 71473778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).