3-amino-2-(methyliminomethyl)but-2-enoic acid

C6H10N2O2 — CID 147048354

IUPAC3-amino-2-(methyliminomethyl)but-2-enoic acid
SMILESC/N=C/C(C(=O)O)=C(C)N
InChIInChI=1S/C6H10N2O2/c1-4(7)5(3-8-2)6(9)10/h3H,7H2,1-2H3,(H,9,10)/b5-4?,8-3+
InChIKeyZYGDJXHPXBBYCK-VISAMJRTSA-N
MW142.16 g/mol
LogP0.00
Rot. Bonds2

About 3-amino-2-(methyliminomethyl)but-2-enoic acid

3-amino-2-(methyliminomethyl)but-2-enoic acid (PubChem CID 147048354) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-amino-2-(methyliminomethyl)but-2-enoic acid.

Molecular Properties

Compound Name3-amino-2-(methyliminomethyl)but-2-enoic acid
PubChem CID147048354
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-amino-2-(methyliminomethyl)but-2-enoic acid
SMILESC/N=C/C(C(=O)O)=C(C)N
InChIInChI=1S/C6H10N2O2/c1-4(7)5(3-8-2)6(9)10/h3H,7H2,1-2H3,(H,9,10)/b5-4?,8-3+
InChIKeyZYGDJXHPXBBYCK-VISAMJRTSA-N
XLogP0.00
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-amino-2-(methyliminomethyl)but-2-enoic acid 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 3-amino-2-(methyliminomethyl)but-2-enoic acid?
The IUPAC name of 3-amino-2-(methyliminomethyl)but-2-enoic acid (CID 147048354) is 3-amino-2-(methyliminomethyl)but-2-enoic acid.
What is the SMILES notation for 3-amino-2-(methyliminomethyl)but-2-enoic acid?
The canonical SMILES for 3-amino-2-(methyliminomethyl)but-2-enoic acid is C/N=C/C(C(=O)O)=C(C)N.
What is the InChIKey of 3-amino-2-(methyliminomethyl)but-2-enoic acid?
The InChIKey is ZYGDJXHPXBBYCK-VISAMJRTSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(7)5(3-8-2)6(9)10/h3H,7H2,1-2H3,(H,9,10)/b5-4?,8-3+.
What are the key properties of 3-amino-2-(methyliminomethyl)but-2-enoic acid?
3-amino-2-(methyliminomethyl)but-2-enoic acid has a molecular weight of 142.16 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(methyliminomethyl)but-2-enoic acid is sourced from PubChem (CID 147048354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).