2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole

C9H11NO8 — CID 174427139

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1cocn1
InChIInChI=1S/C6H8O7.C3H3NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-3-4-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-3H
InChIKeyZVJCBFKZIUUPOJ-UHFFFAOYSA-N
MW261.19 g/mol
LogP-0.57
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole

2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole (PubChem CID 174427139) has the molecular formula C9H11NO8 and a molecular weight of 261.19 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole
PubChem CID174427139
Molecular FormulaC9H11NO8
Molecular Weight261.19 g/mol
Exact Mass261.05
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1cocn1
InChIInChI=1S/C6H8O7.C3H3NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-3-4-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-3H
InChIKeyZVJCBFKZIUUPOJ-UHFFFAOYSA-N
XLogP-0.57
TPSA158.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole (CID 174427139) is 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole is O=C(O)CC(O)(CC(=O)O)C(=O)O.c1cocn1.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole?
The InChIKey is ZVJCBFKZIUUPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H3NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-3-4-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-3H.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole?
2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole has a molecular weight of 261.19 g/mol, XLogP of -0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3-oxazole is sourced from PubChem (CID 174427139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).