2-hydroxyethylazanium;propanoate

C5H13NO3 — CID 87300075

IUPAC2-hydroxyethylazanium;propanoate
SMILESCCC(=O)[O-].[NH3+]CCO
InChIInChI=1S/C3H6O2.C2H7NO/c1-2-3(4)5;3-1-2-4/h2H2,1H3,(H,4,5);4H,1-3H2
InChIKeyVOENXYPDOJTAHV-UHFFFAOYSA-N
MW135.16 g/mol
LogP-2.63
Rot. Bonds2

About 2-hydroxyethylazanium;propanoate

2-hydroxyethylazanium;propanoate (PubChem CID 87300075) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-hydroxyethylazanium;propanoate.

Molecular Properties

Compound Name2-hydroxyethylazanium;propanoate
PubChem CID87300075
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-hydroxyethylazanium;propanoate
SMILESCCC(=O)[O-].[NH3+]CCO
InChIInChI=1S/C3H6O2.C2H7NO/c1-2-3(4)5;3-1-2-4/h2H2,1H3,(H,4,5);4H,1-3H2
InChIKeyVOENXYPDOJTAHV-UHFFFAOYSA-N
XLogP-2.63
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylazanium;propanoate?
The IUPAC name of 2-hydroxyethylazanium;propanoate (CID 87300075) is 2-hydroxyethylazanium;propanoate.
What is the SMILES notation for 2-hydroxyethylazanium;propanoate?
The canonical SMILES for 2-hydroxyethylazanium;propanoate is CCC(=O)[O-].[NH3+]CCO.
What is the InChIKey of 2-hydroxyethylazanium;propanoate?
The InChIKey is VOENXYPDOJTAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H7NO/c1-2-3(4)5;3-1-2-4/h2H2,1H3,(H,4,5);4H,1-3H2.
What are the key properties of 2-hydroxyethylazanium;propanoate?
2-hydroxyethylazanium;propanoate has a molecular weight of 135.16 g/mol, XLogP of -2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylazanium;propanoate is sourced from PubChem (CID 87300075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).