2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium

C8H21N2O3+ — CID 155059662

IUPAC2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium
SMILESCC(N)C(=O)O.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C3H7NO2/c1-6(2,3)4-5-7;1-2(4)3(5)6/h7H,4-5H2,1-3H3;2H,4H2,1H3,(H,5,6)/q+1;
InChIKeyCBVIHDFUVVTSLT-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.90
Rot. Bonds3

About 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium

2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium (PubChem CID 155059662) has the molecular formula C8H21N2O3+ and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium
PubChem CID155059662
Molecular FormulaC8H21N2O3+
Molecular Weight193.27 g/mol
Exact Mass193.15
IUPAC Name2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium
SMILESCC(N)C(=O)O.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C3H7NO2/c1-6(2,3)4-5-7;1-2(4)3(5)6/h7H,4-5H2,1-3H3;2H,4H2,1H3,(H,5,6)/q+1;
InChIKeyCBVIHDFUVVTSLT-UHFFFAOYSA-N
XLogP-0.90
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175376086
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
CID 175396514
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-amino-4-methylsulfanylbutanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 87095339
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate
CID 10313496
(2S)-2-amino-3-hydroxypropanoate;2-hydroxyethyl(trimethyl)azanium
CID 87276262

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium (CID 155059662) is 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium is CC(N)C(=O)O.C[N+](C)(C)CCO.
What is the InChIKey of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is CBVIHDFUVVTSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C3H7NO2/c1-6(2,3)4-5-7;1-2(4)3(5)6/h7H,4-5H2,1-3H3;2H,4H2,1H3,(H,5,6)/q+1;.
What are the key properties of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium?
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 193.27 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 155059662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).