2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid

C5H5NO6 — CID 70122265

IUPAC2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid
SMILESO=C1NC(C(=O)O)(C(=O)O)CO1
InChIInChI=1S/C5H5NO6/c7-2(8)5(3(9)10)1-12-4(11)6-5/h1H2,(H,6,11)(H,7,8)(H,9,10)
InChIKeyYEHNYHAZIMBTDK-UHFFFAOYSA-N
MW175.10 g/mol
LogP-1.37
Rot. Bonds2

About 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid

2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid (PubChem CID 70122265) has the molecular formula C5H5NO6 and a molecular weight of 175.10 g/mol. Its IUPAC name is 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid.

Molecular Properties

Compound Name2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid
PubChem CID70122265
Molecular FormulaC5H5NO6
Molecular Weight175.10 g/mol
Exact Mass175.01
IUPAC Name2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid
SMILESO=C1NC(C(=O)O)(C(=O)O)CO1
InChIInChI=1S/C5H5NO6/c7-2(8)5(3(9)10)1-12-4(11)6-5/h1H2,(H,6,11)(H,7,8)(H,9,10)
InChIKeyYEHNYHAZIMBTDK-UHFFFAOYSA-N
XLogP-1.37
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid?
The IUPAC name of 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid (CID 70122265) is 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid.
What is the SMILES notation for 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid?
The canonical SMILES for 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid is O=C1NC(C(=O)O)(C(=O)O)CO1.
What is the InChIKey of 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid?
The InChIKey is YEHNYHAZIMBTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO6/c7-2(8)5(3(9)10)1-12-4(11)6-5/h1H2,(H,6,11)(H,7,8)(H,9,10).
What are the key properties of 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid?
2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid has a molecular weight of 175.10 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-oxazolidine-4,4-dicarboxylic acid is sourced from PubChem (CID 70122265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).