carboxy-(2-hydroxyethyl)-dimethylazanium

C5H12NO3+ — CID 18716499

IUPACcarboxy-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(2,3-4-7)5(8)9/h7H,3-4H2,1-2H3/p+1
InChIKeyAIBIQIGPGODJCX-UHFFFAOYSA-O
MW134.16 g/mol
LogP-0.27
Rot. Bonds2

About carboxy-(2-hydroxyethyl)-dimethylazanium

carboxy-(2-hydroxyethyl)-dimethylazanium (PubChem CID 18716499) has the molecular formula C5H12NO3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is carboxy-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Namecarboxy-(2-hydroxyethyl)-dimethylazanium
PubChem CID18716499
Molecular FormulaC5H12NO3+
Molecular Weight134.16 g/mol
Exact Mass134.08
IUPAC Namecarboxy-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(2,3-4-7)5(8)9/h7H,3-4H2,1-2H3/p+1
InChIKeyAIBIQIGPGODJCX-UHFFFAOYSA-O
XLogP-0.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carboxy-(2-hydroxyethyl)-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carboxy-(2-hydroxyethyl)-dimethylazanium;diiodovanadium;3-(hydroxymethyl)butane-1,2,4-triol
CID 160556348
carboxy-ethyl-dimethylazanium
CID 23191690
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 155059662
2-hydroxyethyl-dimethyl-octadecanoylazanium
CID 21145645
2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
CID 175396514
2-aminopropanoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175376086
carboxymethyl-(10-hydroxydecyl)-dimethylazanium
CID 54427738
(2E,4E)-hexa-2,4-dienoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174876627
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599

Frequently Asked Questions

What is the IUPAC name of carboxy-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of carboxy-(2-hydroxyethyl)-dimethylazanium (CID 18716499) is carboxy-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for carboxy-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for carboxy-(2-hydroxyethyl)-dimethylazanium is C[N+](C)(CCO)C(=O)O.
What is the InChIKey of carboxy-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is AIBIQIGPGODJCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO3/c1-6(2,3-4-7)5(8)9/h7H,3-4H2,1-2H3/p+1.
What are the key properties of carboxy-(2-hydroxyethyl)-dimethylazanium?
carboxy-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 134.16 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 18716499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).