2-hydroxypropanoate;1H-imidazol-3-ium

C6H10N2O3 — CID 70116573

IUPAC2-hydroxypropanoate;1H-imidazol-3-ium
SMILESCC(O)C(=O)[O-].c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.C3H6O3/c1-2-5-3-4-1;1-2(4)3(5)6/h1-3H,(H,4,5);2,4H,1H3,(H,5,6)
InChIKeyPZXLZEHGFDZFOG-UHFFFAOYSA-N
MW158.16 g/mol
LogP-2.05
Rot. Bonds1

About 2-hydroxypropanoate;1H-imidazol-3-ium

2-hydroxypropanoate;1H-imidazol-3-ium (PubChem CID 70116573) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-hydroxypropanoate;1H-imidazol-3-ium.

Molecular Properties

Compound Name2-hydroxypropanoate;1H-imidazol-3-ium
PubChem CID70116573
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-hydroxypropanoate;1H-imidazol-3-ium
SMILESCC(O)C(=O)[O-].c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.C3H6O3/c1-2-5-3-4-1;1-2(4)3(5)6/h1-3H,(H,4,5);2,4H,1H3,(H,5,6)
InChIKeyPZXLZEHGFDZFOG-UHFFFAOYSA-N
XLogP-2.05
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(1H-imidazol-3-ium-3-yl)propanoate
CID 175118032
1-Ethyl-3-methylimidazolium L-(+)-lactate
CID 2734252
Imidazole acetate
CID 18411416
2-hydroxy-3-(1H-imidazol-2-yl)propanoic acid
CID 147358
Imidazole malate
CID 18448817
Imidazole oxalate
CID 19829572
1H-imidazole;propanoic acid
CID 21250915
Alcohol-imidazole
CID 21715454
Imidazole tartrate
CID 21715458
Imidazole glycerol
CID 22057590
2-hydroxypropanoic acid;1H-imidazole
CID 23496819
Imidazolyl-pro-pionate
CID 53727499

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoate;1H-imidazol-3-ium?
The IUPAC name of 2-hydroxypropanoate;1H-imidazol-3-ium (CID 70116573) is 2-hydroxypropanoate;1H-imidazol-3-ium.
What is the SMILES notation for 2-hydroxypropanoate;1H-imidazol-3-ium?
The canonical SMILES for 2-hydroxypropanoate;1H-imidazol-3-ium is CC(O)C(=O)[O-].c1c[nH+]c[nH]1.
What is the InChIKey of 2-hydroxypropanoate;1H-imidazol-3-ium?
The InChIKey is PZXLZEHGFDZFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H6O3/c1-2-5-3-4-1;1-2(4)3(5)6/h1-3H,(H,4,5);2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoate;1H-imidazol-3-ium?
2-hydroxypropanoate;1H-imidazol-3-ium has a molecular weight of 158.16 g/mol, XLogP of -2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoate;1H-imidazol-3-ium is sourced from PubChem (CID 70116573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).