3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide

C8H12N2O5 — CID 142439174

IUPAC3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide
SMILESCCC(=O)CNC(=O)C1C(=O)ONC1O
InChIInChI=1S/C8H12N2O5/c1-2-4(11)3-9-6(12)5-7(13)10-15-8(5)14/h5,7,10,13H,2-3H2,1H3,(H,9,12)
InChIKeyAZIYYMOBILQWSV-UHFFFAOYSA-N
MW216.19 g/mol
LogP-1.92
Rot. Bonds4

About 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide

3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide (PubChem CID 142439174) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide
PubChem CID142439174
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide
SMILESCCC(=O)CNC(=O)C1C(=O)ONC1O
InChIInChI=1S/C8H12N2O5/c1-2-4(11)3-9-6(12)5-7(13)10-15-8(5)14/h5,7,10,13H,2-3H2,1H3,(H,9,12)
InChIKeyAZIYYMOBILQWSV-UHFFFAOYSA-N
XLogP-1.92
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide?
The IUPAC name of 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide (CID 142439174) is 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide is CCC(=O)CNC(=O)C1C(=O)ONC1O.
What is the InChIKey of 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide?
The InChIKey is AZIYYMOBILQWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-2-4(11)3-9-6(12)5-7(13)10-15-8(5)14/h5,7,10,13H,2-3H2,1H3,(H,9,12).
What are the key properties of 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide?
3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide has a molecular weight of 216.19 g/mol, XLogP of -1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).