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

C8H21ClN2O3 — CID 175376086

IUPAC2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
SMILESCC(N)C(=O)O.C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C5H14NO.C3H7NO2.ClH/c1-6(2,3)4-5-7;1-2(4)3(5)6;/h7H,4-5H2,1-3H3;2H,4H2,1H3,(H,5,6);1H/q+1;;/p-1
InChIKeyOUCKWWNWEUAZLZ-UHFFFAOYSA-M
MW228.72 g/mol
LogP-3.89
Rot. Bonds3

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

2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride (PubChem CID 175376086) has the molecular formula C8H21ClN2O3 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride.

Molecular Properties

Compound Name2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
PubChem CID175376086
Molecular FormulaC8H21ClN2O3
Molecular Weight228.72 g/mol
Exact Mass228.12
IUPAC Name2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
SMILESCC(N)C(=O)O.C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C5H14NO.C3H7NO2.ClH/c1-6(2,3)4-5-7;1-2(4)3(5)6;/h7H,4-5H2,1-3H3;2H,4H2,1H3,(H,5,6);1H/q+1;;/p-1
InChIKeyOUCKWWNWEUAZLZ-UHFFFAOYSA-M
XLogP-3.89
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 5-3.89
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
CID 155059662
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
CID 175396514
(Z)-but-2-enedioic acid;2-hydroxyethyl(trimethyl)azanium;propane-1,2-diol;chloride
CID 175602102
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
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

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride?
The IUPAC name of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride (CID 175376086) is 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride.
What is the SMILES notation for 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride?
The canonical SMILES for 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride is CC(N)C(=O)O.C[N+](C)(C)CCO.[Cl-].
What is the InChIKey of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride?
The InChIKey is OUCKWWNWEUAZLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.C3H7NO2.ClH/c1-6(2,3)4-5-7;1-2(4)3(5)6;/h7H,4-5H2,1-3H3;2H,4H2,1H3,(H,5,6);1H/q+1;;/p-1.
What are the key properties of 2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride?
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride has a molecular weight of 228.72 g/mol, XLogP of -3.89, 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;chloride is sourced from PubChem (CID 175376086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).