5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid

C6H7NO5 — CID 19742154

IUPAC5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESO=CCC1C(=O)OCN1C(=O)O
InChIInChI=1S/C6H7NO5/c8-2-1-4-5(9)12-3-7(4)6(10)11/h2,4H,1,3H2,(H,10,11)
InChIKeyDGSZHNIQIHCNME-UHFFFAOYSA-N
MW173.12 g/mol
LogP-0.56
Rot. Bonds2

About 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid

5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid (PubChem CID 19742154) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
PubChem CID19742154
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESO=CCC1C(=O)OCN1C(=O)O
InChIInChI=1S/C6H7NO5/c8-2-1-4-5(9)12-3-7(4)6(10)11/h2,4H,1,3H2,(H,10,11)
InChIKeyDGSZHNIQIHCNME-UHFFFAOYSA-N
XLogP-0.56
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid (CID 19742154) is 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid is O=CCC1C(=O)OCN1C(=O)O.
What is the InChIKey of 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is DGSZHNIQIHCNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5/c8-2-1-4-5(9)12-3-7(4)6(10)11/h2,4H,1,3H2,(H,10,11).
What are the key properties of 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid?
5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 173.12 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 19742154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).