2-hydroxybutanedioic acid;1H-imidazole

C7H10N2O5 — CID 18448817

IUPAC2-hydroxybutanedioic acid;1H-imidazole
SMILESO=C(O)CC(O)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C4H6O5.C3H4N2/c5-2(4(8)9)1-3(6)7;1-2-5-3-4-1/h2,5H,1H2,(H,6,7)(H,8,9);1-3H,(H,4,5)
InChIKeyOQMVIJDKKZLJBM-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.68
Rot. Bonds3

About 2-hydroxybutanedioic acid;1H-imidazole

2-hydroxybutanedioic acid;1H-imidazole (PubChem CID 18448817) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;1H-imidazole.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;1H-imidazole
PubChem CID18448817
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-hydroxybutanedioic acid;1H-imidazole
SMILESO=C(O)CC(O)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C4H6O5.C3H4N2/c5-2(4(8)9)1-3(6)7;1-2-5-3-4-1/h2,5H,1H2,(H,6,7)(H,8,9);1-3H,(H,4,5)
InChIKeyOQMVIJDKKZLJBM-UHFFFAOYSA-N
XLogP-0.68
TPSA123.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-(1H-imidazol-2-yl)propanoic acid
CID 147358
Imidazole tartrate
CID 21715458
Imidazole glycerol
CID 22057590
2-hydroxypropanoic acid;1H-imidazole
CID 23496819
Imidazolyl lactate
CID 53907270
(2R,3R)-2,3-dihydroxybutanedioate;bis(1H-imidazol-3-ium)
CID 69367619
Imidazolium lactate
CID 70116573
2-Methylimidazolium lactate
CID 129821467
1-Ethyl-imidazolium lactate
CID 129821511
Imidazolium dihydrogen citrate
CID 129853089
1-Methylimidazolium DL-lactate
CID 134716134
Imidazolium hydrogen succinate
CID 163320469

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;1H-imidazole?
The IUPAC name of 2-hydroxybutanedioic acid;1H-imidazole (CID 18448817) is 2-hydroxybutanedioic acid;1H-imidazole.
What is the SMILES notation for 2-hydroxybutanedioic acid;1H-imidazole?
The canonical SMILES for 2-hydroxybutanedioic acid;1H-imidazole is O=C(O)CC(O)C(=O)O.c1c[nH]cn1.
What is the InChIKey of 2-hydroxybutanedioic acid;1H-imidazole?
The InChIKey is OQMVIJDKKZLJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.C3H4N2/c5-2(4(8)9)1-3(6)7;1-2-5-3-4-1/h2,5H,1H2,(H,6,7)(H,8,9);1-3H,(H,4,5).
What are the key properties of 2-hydroxybutanedioic acid;1H-imidazole?
2-hydroxybutanedioic acid;1H-imidazole has a molecular weight of 202.17 g/mol, XLogP of -0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;1H-imidazole is sourced from PubChem (CID 18448817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).