2-hydroxyethyl(methyl)azanium acetate

C5H13NO3 — CID 87299177

IUPAC2-hydroxyethyl(methyl)azanium acetate
SMILESCC(=O)[O-].C[NH2+]CCO
InChIInChI=1S/C3H9NO.C2H4O2/c1-4-2-3-5;1-2(3)4/h4-5H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyOKKXOOIBGAXTQK-UHFFFAOYSA-N
MW135.16 g/mol
LogP-3.07
Rot. Bonds2

About 2-hydroxyethyl(methyl)azanium acetate

2-hydroxyethyl(methyl)azanium acetate (PubChem CID 87299177) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-hydroxyethyl(methyl)azanium acetate.

Molecular Properties

Compound Name2-hydroxyethyl(methyl)azanium acetate
PubChem CID87299177
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-hydroxyethyl(methyl)azanium acetate
SMILESCC(=O)[O-].C[NH2+]CCO
InChIInChI=1S/C3H9NO.C2H4O2/c1-4-2-3-5;1-2(3)4/h4-5H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyOKKXOOIBGAXTQK-UHFFFAOYSA-N
XLogP-3.07
TPSA76.97 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 ≤ 5-3.07
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 acetate?
The IUPAC name of 2-hydroxyethyl(methyl)azanium acetate (CID 87299177) is 2-hydroxyethyl(methyl)azanium acetate.
What is the SMILES notation for 2-hydroxyethyl(methyl)azanium acetate?
The canonical SMILES for 2-hydroxyethyl(methyl)azanium acetate is CC(=O)[O-].C[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl(methyl)azanium acetate?
The InChIKey is OKKXOOIBGAXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2H4O2/c1-4-2-3-5;1-2(3)4/h4-5H,2-3H2,1H3;1H3,(H,3,4).
What are the key properties of 2-hydroxyethyl(methyl)azanium acetate?
2-hydroxyethyl(methyl)azanium acetate has a molecular weight of 135.16 g/mol, XLogP of -3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(methyl)azanium acetate is sourced from PubChem (CID 87299177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).