4-amino-2-methylbut-2-enoic acid;hydrochloride

C5H10ClNO2 — CID 155667296

IUPAC4-amino-2-methylbut-2-enoic acid;hydrochloride
SMILESCC(=CCN)C(=O)O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4(2-3-6)5(7)8;/h2H,3,6H2,1H3,(H,7,8);1H
InChIKeyNNEMIAZIOCLTAQ-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.40
Rot. Bonds2

About 4-amino-2-methylbut-2-enoic acid;hydrochloride

4-amino-2-methylbut-2-enoic acid;hydrochloride (PubChem CID 155667296) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 4-amino-2-methylbut-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-2-methylbut-2-enoic acid;hydrochloride
PubChem CID155667296
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name4-amino-2-methylbut-2-enoic acid;hydrochloride
SMILESCC(=CCN)C(=O)O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4(2-3-6)5(7)8;/h2H,3,6H2,1H3,(H,7,8);1H
InChIKeyNNEMIAZIOCLTAQ-UHFFFAOYSA-N
XLogP0.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2-methylbut-2-enoic acid;hydrochloride 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 4-amino-2-methylbut-2-enoic acid;hydrochloride?
The IUPAC name of 4-amino-2-methylbut-2-enoic acid;hydrochloride (CID 155667296) is 4-amino-2-methylbut-2-enoic acid;hydrochloride.
What is the SMILES notation for 4-amino-2-methylbut-2-enoic acid;hydrochloride?
The canonical SMILES for 4-amino-2-methylbut-2-enoic acid;hydrochloride is CC(=CCN)C(=O)O.Cl.
What is the InChIKey of 4-amino-2-methylbut-2-enoic acid;hydrochloride?
The InChIKey is NNEMIAZIOCLTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-4(2-3-6)5(7)8;/h2H,3,6H2,1H3,(H,7,8);1H.
What are the key properties of 4-amino-2-methylbut-2-enoic acid;hydrochloride?
4-amino-2-methylbut-2-enoic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbut-2-enoic acid;hydrochloride is sourced from PubChem (CID 155667296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).