ethylazanium;2-hydroxypropanoate

C5H13NO3 — CID 18513121

IUPACethylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CC[NH3+]
InChIInChI=1S/C3H6O3.C2H7N/c1-2(4)3(5)6;1-2-3/h2,4H,1H3,(H,5,6);2-3H2,1H3
InChIKeyVAIUNGBQMLPPDL-UHFFFAOYSA-N
MW135.16 g/mol
LogP-2.63
Rot. Bonds1

About ethylazanium;2-hydroxypropanoate

ethylazanium;2-hydroxypropanoate (PubChem CID 18513121) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is ethylazanium;2-hydroxypropanoate.

Molecular Properties

Compound Nameethylazanium;2-hydroxypropanoate
PubChem CID18513121
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Nameethylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CC[NH3+]
InChIInChI=1S/C3H6O3.C2H7N/c1-2(4)3(5)6;1-2-3/h2,4H,1H3,(H,5,6);2-3H2,1H3
InChIKeyVAIUNGBQMLPPDL-UHFFFAOYSA-N
XLogP-2.63
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-2.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethylazanium;2-hydroxypropanoate 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 ethylazanium;2-hydroxypropanoate?
The IUPAC name of ethylazanium;2-hydroxypropanoate (CID 18513121) is ethylazanium;2-hydroxypropanoate.
What is the SMILES notation for ethylazanium;2-hydroxypropanoate?
The canonical SMILES for ethylazanium;2-hydroxypropanoate is CC(O)C(=O)[O-].CC[NH3+].
What is the InChIKey of ethylazanium;2-hydroxypropanoate?
The InChIKey is VAIUNGBQMLPPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H7N/c1-2(4)3(5)6;1-2-3/h2,4H,1H3,(H,5,6);2-3H2,1H3.
What are the key properties of ethylazanium;2-hydroxypropanoate?
ethylazanium;2-hydroxypropanoate has a molecular weight of 135.16 g/mol, XLogP of -2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;2-hydroxypropanoate is sourced from PubChem (CID 18513121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).