5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid

C6H9NO4 — CID 171036716

IUPAC5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
SMILESCC1COC(=O)NC1C(=O)O
InChIInChI=1S/C6H9NO4/c1-3-2-11-6(10)7-4(3)5(8)9/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyMPIFLXQAQKQOGG-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.18
Rot. Bonds1

About 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid

5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid (PubChem CID 171036716) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
PubChem CID171036716
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
SMILESCC1COC(=O)NC1C(=O)O
InChIInChI=1S/C6H9NO4/c1-3-2-11-6(10)7-4(3)5(8)9/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyMPIFLXQAQKQOGG-UHFFFAOYSA-N
XLogP-0.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid?
The IUPAC name of 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid (CID 171036716) is 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid is CC1COC(=O)NC1C(=O)O.
What is the InChIKey of 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid?
The InChIKey is MPIFLXQAQKQOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3-2-11-6(10)7-4(3)5(8)9/h3-4H,2H2,1H3,(H,7,10)(H,8,9).
What are the key properties of 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid?
5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid is sourced from PubChem (CID 171036716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).