bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)

C12H28N6NiO6 — CID 138397707

IUPACbis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)
SMILESCNCC(N)C(=O)O.CNCC(N)C(=O)[O-].CNCC(N)C(=O)[O-].[Ni+2]
InChIInChI=1S/3C4H10N2O2.Ni/c3*1-6-2-3(5)4(7)8;/h3*3,6H,2,5H2,1H3,(H,7,8);/q;;;+2/p-2
InChIKeyFDVYCVDTDSMPHW-UHFFFAOYSA-L
MW411.09 g/mol
LogP-6.82
Rot. Bonds9

About bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)

bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+) (PubChem CID 138397707) has the molecular formula C12H28N6NiO6 and a molecular weight of 411.09 g/mol. Its IUPAC name is bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+).

Molecular Properties

Compound Namebis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)
PubChem CID138397707
Molecular FormulaC12H28N6NiO6
Molecular Weight411.09 g/mol
Exact Mass410.14
IUPAC Namebis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)
SMILESCNCC(N)C(=O)O.CNCC(N)C(=O)[O-].CNCC(N)C(=O)[O-].[Ni+2]
InChIInChI=1S/3C4H10N2O2.Ni/c3*1-6-2-3(5)4(7)8;/h3*3,6H,2,5H2,1H3,(H,7,8);/q;;;+2/p-2
InChIKeyFDVYCVDTDSMPHW-UHFFFAOYSA-L
XLogP-6.82
TPSA231.71 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500411.09
LogP ≤ 5-6.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)?
The IUPAC name of bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+) (CID 138397707) is bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+).
What is the SMILES notation for bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)?
The canonical SMILES for bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+) is CNCC(N)C(=O)O.CNCC(N)C(=O)[O-].CNCC(N)C(=O)[O-].[Ni+2].
What is the InChIKey of bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)?
The InChIKey is FDVYCVDTDSMPHW-UHFFFAOYSA-L. The full InChI is InChI=1S/3C4H10N2O2.Ni/c3*1-6-2-3(5)4(7)8;/h3*3,6H,2,5H2,1H3,(H,7,8);/q;;;+2/p-2.
What are the key properties of bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+)?
bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+) has a molecular weight of 411.09 g/mol, XLogP of -6.82, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-3-(methylamino)propanoate);2-amino-3-(methylamino)propanoic acid;nickel(2+) is sourced from PubChem (CID 138397707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).