amino 3-amino-3-imino-2-methylpropanoate

C4H9N3O2 — CID 57316796

IUPACamino 3-amino-3-imino-2-methylpropanoate
SMILES[H]/N=C(\N)C(C)C(=O)ON
InChIInChI=1S/C4H9N3O2/c1-2(3(5)6)4(8)9-7/h2H,7H2,1H3,(H3,5,6)
InChIKeyUEFHEBUVPLVHDC-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.02
Rot. Bonds2

About amino 3-amino-3-imino-2-methylpropanoate

amino 3-amino-3-imino-2-methylpropanoate (PubChem CID 57316796) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is amino 3-amino-3-imino-2-methylpropanoate.

Molecular Properties

Compound Nameamino 3-amino-3-imino-2-methylpropanoate
PubChem CID57316796
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Nameamino 3-amino-3-imino-2-methylpropanoate
SMILES[H]/N=C(\N)C(C)C(=O)ON
InChIInChI=1S/C4H9N3O2/c1-2(3(5)6)4(8)9-7/h2H,7H2,1H3,(H3,5,6)
InChIKeyUEFHEBUVPLVHDC-UHFFFAOYSA-N
XLogP-1.02
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze amino 3-amino-3-imino-2-methylpropanoate 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 amino 3-amino-3-imino-2-methylpropanoate?
The IUPAC name of amino 3-amino-3-imino-2-methylpropanoate (CID 57316796) is amino 3-amino-3-imino-2-methylpropanoate.
What is the SMILES notation for amino 3-amino-3-imino-2-methylpropanoate?
The canonical SMILES for amino 3-amino-3-imino-2-methylpropanoate is [H]/N=C(\N)C(C)C(=O)ON.
What is the InChIKey of amino 3-amino-3-imino-2-methylpropanoate?
The InChIKey is UEFHEBUVPLVHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-2(3(5)6)4(8)9-7/h2H,7H2,1H3,(H3,5,6).
What are the key properties of amino 3-amino-3-imino-2-methylpropanoate?
amino 3-amino-3-imino-2-methylpropanoate has a molecular weight of 131.13 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-amino-3-imino-2-methylpropanoate is sourced from PubChem (CID 57316796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).