2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate

C8H19NO4 — CID 10313496

IUPAC2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C3H6O3/c1-6(2,3)4-5-7;1-2(4)3(5)6/h7H,4-5H2,1-3H3;2,4H,1H3,(H,5,6)/q+1;/p-1
InChIKeyMIFGTXFTLQVWJW-UHFFFAOYSA-M
MW193.24 g/mol
LogP-2.20
Rot. Bonds3

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

2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate (PubChem CID 10313496) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate
PubChem CID10313496
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C3H6O3/c1-6(2,3)4-5-7;1-2(4)3(5)6/h7H,4-5H2,1-3H3;2,4H,1H3,(H,5,6)/q+1;/p-1
InChIKeyMIFGTXFTLQVWJW-UHFFFAOYSA-M
XLogP-2.20
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
(2S)-2-amino-3-hydroxypropanoate;2-hydroxyethyl(trimethyl)azanium
CID 87276262
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
butanedioate;2-hydroxyethyl(trimethyl)azanium
CID 87766528
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 155059662
2,2-dimethylpropanoate;2-hydroxyethyl(trimethyl)azanium
CID 21472941
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175376086
(Z)-but-2-enedioic acid;2-hydroxyethyl(trimethyl)azanium;propane-1,2-diol;chloride
CID 175602102
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate (CID 10313496) is 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate is CC(O)C(=O)[O-].C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate?
The InChIKey is MIFGTXFTLQVWJW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.C3H6O3/c1-6(2,3)4-5-7;1-2(4)3(5)6/h7H,4-5H2,1-3H3;2,4H,1H3,(H,5,6)/q+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate?
2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate has a molecular weight of 193.24 g/mol, XLogP of -2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate is sourced from PubChem (CID 10313496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).