3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

C9H13NO5 — CID 115006183

IUPAC3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1C1CCOCC1
InChIInChI=1S/C9H13NO5/c11-8(12)7-5-15-9(13)10(7)6-1-3-14-4-2-6/h6-7H,1-5H2,(H,11,12)
InChIKeyTVMZXUAUXYMJMT-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.07
Rot. Bonds2

About 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 115006183) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID115006183
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1C1CCOCC1
InChIInChI=1S/C9H13NO5/c11-8(12)7-5-15-9(13)10(7)6-1-3-14-4-2-6/h6-7H,1-5H2,(H,11,12)
InChIKeyTVMZXUAUXYMJMT-UHFFFAOYSA-N
XLogP0.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 115006183) is 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid is O=C(O)C1COC(=O)N1C1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is TVMZXUAUXYMJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-8(12)7-5-15-9(13)10(7)6-1-3-14-4-2-6/h6-7H,1-5H2,(H,11,12).
What are the key properties of 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 215.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 115006183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).