2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium

C6H15NO4 — CID 57370633

IUPAC2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO.O=C([O-])CO
InChIInChI=1S/C4H11NO.C2H4O3/c1-5(2)3-4-6;3-1-2(4)5/h6H,3-4H2,1-2H3;3H,1H2,(H,4,5)
InChIKeyZKTVJRFQLBDRMC-UHFFFAOYSA-N
MW165.19 g/mol
LogP-4.15
Rot. Bonds3

About 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium

2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium (PubChem CID 57370633) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium.

Molecular Properties

Compound Name2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium
PubChem CID57370633
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO.O=C([O-])CO
InChIInChI=1S/C4H11NO.C2H4O3/c1-5(2)3-4-6;3-1-2(4)5/h6H,3-4H2,1-2H3;3H,1H2,(H,4,5)
InChIKeyZKTVJRFQLBDRMC-UHFFFAOYSA-N
XLogP-4.15
TPSA85.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-4.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium?
The IUPAC name of 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium (CID 57370633) is 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium.
What is the SMILES notation for 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium?
The canonical SMILES for 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium is C[NH+](C)CCO.O=C([O-])CO.
What is the InChIKey of 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium?
The InChIKey is ZKTVJRFQLBDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H4O3/c1-5(2)3-4-6;3-1-2(4)5/h6H,3-4H2,1-2H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium?
2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium has a molecular weight of 165.19 g/mol, XLogP of -4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetate;2-hydroxyethyl(dimethyl)azanium is sourced from PubChem (CID 57370633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).