3-(methylazaniumyl)propanoate

C4H9NO2 — CID 25202453

IUPAC3-(methylazaniumyl)propanoate
SMILESC[NH2+]CCC(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyVDIPNVCWMXZNFY-UHFFFAOYSA-N
MW103.12 g/mol
LogP-2.68
Rot. Bonds3

About 3-(methylazaniumyl)propanoate

3-(methylazaniumyl)propanoate (PubChem CID 25202453) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 3-(methylazaniumyl)propanoate.

Molecular Properties

Compound Name3-(methylazaniumyl)propanoate
PubChem CID25202453
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name3-(methylazaniumyl)propanoate
SMILESC[NH2+]CCC(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyVDIPNVCWMXZNFY-UHFFFAOYSA-N
XLogP-2.68
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(methylazaniumyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-beta-alanine
CID 75891
Methyl 2-methyl-3-(methylamino)propanoate
CID 13129055
Ethyl 3-(methylamino)propanoate
CID 541480
Methyl 3-(methylamino)propanoate
CID 12414198
Methyl 3-[(propan-2-yl)amino]propanoate
CID 12774812
3-(Dimethylazaniumyl)propanoate
CID 25201408
Putreanine(1+)
CID 156621403
3-Acetamidopropanoate
CID 6950953
2-Methyl-3-(methylamino)propanoic acid
CID 18404486
Ethyl N-ethyl-beta-alaninate
CID 90223
3-[(2-Methylpropyl)amino]propanoic acid
CID 16228510
Methyl N-ethyl-beta-alaninate
CID 76973

Frequently Asked Questions

What is the IUPAC name of 3-(methylazaniumyl)propanoate?
The IUPAC name of 3-(methylazaniumyl)propanoate (CID 25202453) is 3-(methylazaniumyl)propanoate.
What is the SMILES notation for 3-(methylazaniumyl)propanoate?
The canonical SMILES for 3-(methylazaniumyl)propanoate is C[NH2+]CCC(=O)[O-].
What is the InChIKey of 3-(methylazaniumyl)propanoate?
The InChIKey is VDIPNVCWMXZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 3-(methylazaniumyl)propanoate?
3-(methylazaniumyl)propanoate has a molecular weight of 103.12 g/mol, XLogP of -2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylazaniumyl)propanoate is sourced from PubChem (CID 25202453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).