ethyl 2-(diaminomethylideneamino)acetate

C5H11N3O2 — CID 62359530

IUPACethyl 2-(diaminomethylideneamino)acetate
SMILESCCOC(=O)CN=C(N)N
InChIInChI=1S/C5H11N3O2/c1-2-10-4(9)3-8-5(6)7/h2-3H2,1H3,(H4,6,7,8)
InChIKeyDOGAZUQUONJLEZ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.18
Rot. Bonds3

About ethyl 2-(diaminomethylideneamino)acetate

ethyl 2-(diaminomethylideneamino)acetate (PubChem CID 62359530) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(diaminomethylideneamino)acetate
PubChem CID62359530
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Nameethyl 2-(diaminomethylideneamino)acetate
SMILESCCOC(=O)CN=C(N)N
InChIInChI=1S/C5H11N3O2/c1-2-10-4(9)3-8-5(6)7/h2-3H2,1H3,(H4,6,7,8)
InChIKeyDOGAZUQUONJLEZ-UHFFFAOYSA-N
XLogP-1.18
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
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 ethyl 2-(diaminomethylideneamino)acetate?
The IUPAC name of ethyl 2-(diaminomethylideneamino)acetate (CID 62359530) is ethyl 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for ethyl 2-(diaminomethylideneamino)acetate?
The canonical SMILES for ethyl 2-(diaminomethylideneamino)acetate is CCOC(=O)CN=C(N)N.
What is the InChIKey of ethyl 2-(diaminomethylideneamino)acetate?
The InChIKey is DOGAZUQUONJLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-10-4(9)3-8-5(6)7/h2-3H2,1H3,(H4,6,7,8).
What are the key properties of ethyl 2-(diaminomethylideneamino)acetate?
ethyl 2-(diaminomethylideneamino)acetate has a molecular weight of 145.16 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 62359530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).