azanium 2-(diaminomethylideneamino)acetate

C3H10N4O2 — CID 141384107

IUPACazanium 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)[O-].[NH4+]
InChIInChI=1S/C3H7N3O2.H3N/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H3
InChIKeyANIBOECCFZKQLA-UHFFFAOYSA-N
MW134.14 g/mol
LogP-2.61
Rot. Bonds2

About azanium 2-(diaminomethylideneamino)acetate

azanium 2-(diaminomethylideneamino)acetate (PubChem CID 141384107) has the molecular formula C3H10N4O2 and a molecular weight of 134.14 g/mol. Its IUPAC name is azanium 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Nameazanium 2-(diaminomethylideneamino)acetate
PubChem CID141384107
Molecular FormulaC3H10N4O2
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Nameazanium 2-(diaminomethylideneamino)acetate
SMILESNC(N)=NCC(=O)[O-].[NH4+]
InChIInChI=1S/C3H7N3O2.H3N/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H3
InChIKeyANIBOECCFZKQLA-UHFFFAOYSA-N
XLogP-2.61
TPSA141.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-2.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium 2-(diaminomethylideneamino)acetate?
The IUPAC name of azanium 2-(diaminomethylideneamino)acetate (CID 141384107) is azanium 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for azanium 2-(diaminomethylideneamino)acetate?
The canonical SMILES for azanium 2-(diaminomethylideneamino)acetate is NC(N)=NCC(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-(diaminomethylideneamino)acetate?
The InChIKey is ANIBOECCFZKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2.H3N/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H3.
What are the key properties of azanium 2-(diaminomethylideneamino)acetate?
azanium 2-(diaminomethylideneamino)acetate has a molecular weight of 134.14 g/mol, XLogP of -2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 141384107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).