2-hydroxyethylazanium;2-hydroxypropanoate

C5H13NO4 — CID 87299033

IUPAC2-hydroxyethylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].[NH3+]CCO
InChIInChI=1S/C3H6O3.C2H7NO/c1-2(4)3(5)6;3-1-2-4/h2,4H,1H3,(H,5,6);4H,1-3H2
InChIKeyNEQXUPRFDXNNTA-UHFFFAOYSA-N
MW151.16 g/mol
LogP-3.66
Rot. Bonds2

About 2-hydroxyethylazanium;2-hydroxypropanoate

2-hydroxyethylazanium;2-hydroxypropanoate (PubChem CID 87299033) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-hydroxyethylazanium;2-hydroxypropanoate.

Molecular Properties

Compound Name2-hydroxyethylazanium;2-hydroxypropanoate
PubChem CID87299033
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-hydroxyethylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].[NH3+]CCO
InChIInChI=1S/C3H6O3.C2H7NO/c1-2(4)3(5)6;3-1-2-4/h2,4H,1H3,(H,5,6);4H,1-3H2
InChIKeyNEQXUPRFDXNNTA-UHFFFAOYSA-N
XLogP-3.66
TPSA108.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-3.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylazanium;2-hydroxypropanoate?
The IUPAC name of 2-hydroxyethylazanium;2-hydroxypropanoate (CID 87299033) is 2-hydroxyethylazanium;2-hydroxypropanoate.
What is the SMILES notation for 2-hydroxyethylazanium;2-hydroxypropanoate?
The canonical SMILES for 2-hydroxyethylazanium;2-hydroxypropanoate is CC(O)C(=O)[O-].[NH3+]CCO.
What is the InChIKey of 2-hydroxyethylazanium;2-hydroxypropanoate?
The InChIKey is NEQXUPRFDXNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H7NO/c1-2(4)3(5)6;3-1-2-4/h2,4H,1H3,(H,5,6);4H,1-3H2.
What are the key properties of 2-hydroxyethylazanium;2-hydroxypropanoate?
2-hydroxyethylazanium;2-hydroxypropanoate has a molecular weight of 151.16 g/mol, XLogP of -3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylazanium;2-hydroxypropanoate is sourced from PubChem (CID 87299033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).