2-hydroxyethyl(methyl)azanium;propanoate

C6H15NO3 — CID 87299795

IUPAC2-hydroxyethyl(methyl)azanium;propanoate
SMILESCCC(=O)[O-].C[NH2+]CCO
InChIInChI=1S/C3H9NO.C3H6O2/c1-4-2-3-5;1-2-3(4)5/h4-5H,2-3H2,1H3;2H2,1H3,(H,4,5)
InChIKeyNYTRDLKGSPTWAV-UHFFFAOYSA-N
MW149.19 g/mol
LogP-2.68
Rot. Bonds3

About 2-hydroxyethyl(methyl)azanium;propanoate

2-hydroxyethyl(methyl)azanium;propanoate (PubChem CID 87299795) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-hydroxyethyl(methyl)azanium;propanoate.

Molecular Properties

Compound Name2-hydroxyethyl(methyl)azanium;propanoate
PubChem CID87299795
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-hydroxyethyl(methyl)azanium;propanoate
SMILESCCC(=O)[O-].C[NH2+]CCO
InChIInChI=1S/C3H9NO.C3H6O2/c1-4-2-3-5;1-2-3(4)5/h4-5H,2-3H2,1H3;2H2,1H3,(H,4,5)
InChIKeyNYTRDLKGSPTWAV-UHFFFAOYSA-N
XLogP-2.68
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(methyl)azanium;propanoate?
The IUPAC name of 2-hydroxyethyl(methyl)azanium;propanoate (CID 87299795) is 2-hydroxyethyl(methyl)azanium;propanoate.
What is the SMILES notation for 2-hydroxyethyl(methyl)azanium;propanoate?
The canonical SMILES for 2-hydroxyethyl(methyl)azanium;propanoate is CCC(=O)[O-].C[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl(methyl)azanium;propanoate?
The InChIKey is NYTRDLKGSPTWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C3H6O2/c1-4-2-3-5;1-2-3(4)5/h4-5H,2-3H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 2-hydroxyethyl(methyl)azanium;propanoate?
2-hydroxyethyl(methyl)azanium;propanoate has a molecular weight of 149.19 g/mol, XLogP of -2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(methyl)azanium;propanoate is sourced from PubChem (CID 87299795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).