2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate

C7H17NO4 — CID 71438552

IUPAC2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].C[NH+](C)CCO
InChIInChI=1S/C4H11NO.C3H6O3/c1-5(2)3-4-6;1-2(4)3(5)6/h6H,3-4H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyQFQMQSNDWYRIAG-UHFFFAOYSA-N
MW179.22 g/mol
LogP-3.76
Rot. Bonds3

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

2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate (PubChem CID 71438552) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate.

Molecular Properties

Compound Name2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate
PubChem CID71438552
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].C[NH+](C)CCO
InChIInChI=1S/C4H11NO.C3H6O3/c1-5(2)3-4-6;1-2(4)3(5)6/h6H,3-4H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyQFQMQSNDWYRIAG-UHFFFAOYSA-N
XLogP-3.76
TPSA85.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-3.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Propanoic acid, 2-hydroxy-, compd. with 2-aminoethanol (1:1)
CID 11275112
Propanoic acid, 2-hydroxy-, compd. with 2-(dimethylamino)ethanol (1:1)
CID 171536
Choline lactate
CID 10313496
2-Hydroxyacetate;tris(2-hydroxyethyl)azanium
CID 53470594
Tris-(2-hydroxyethyl) ammonium lactate
CID 57357712
2-(2-Hydroxyethylamino)ethanol;2-hydroxypropanoic acid
CID 11579279
Methylisoserin
CID 20300639
Choline-glycolate
CID 57370633
2-Hydroxy ethylammonium lactate
CID 87299033
Bis-(2-hydroxyethyl) ammonium lactate
CID 87299300
Bis-(2-hydroxyethyl) methylammonium lactate
CID 154724081
2-Hydroxyethyl-trimethylammonium L-(+)-lactate
CID 16218233

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate?
The IUPAC name of 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate (CID 71438552) is 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate.
What is the SMILES notation for 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate?
The canonical SMILES for 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate is CC(O)C(=O)[O-].C[NH+](C)CCO.
What is the InChIKey of 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate?
The InChIKey is QFQMQSNDWYRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H6O3/c1-5(2)3-4-6;1-2(4)3(5)6/h6H,3-4H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate?
2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate has a molecular weight of 179.22 g/mol, XLogP of -3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate is sourced from PubChem (CID 71438552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).