3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid

C7H11NO4 — CID 83846284

IUPAC3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid
SMILESCCN1CC(C(=O)O)COC1=O
InChIInChI=1S/C7H11NO4/c1-2-8-3-5(6(9)10)4-12-7(8)11/h5H,2-4H2,1H3,(H,9,10)
InChIKeyJTDUHPDAOZKFFJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.16
Rot. Bonds2

About 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid

3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid (PubChem CID 83846284) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid
PubChem CID83846284
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid
SMILESCCN1CC(C(=O)O)COC1=O
InChIInChI=1S/C7H11NO4/c1-2-8-3-5(6(9)10)4-12-7(8)11/h5H,2-4H2,1H3,(H,9,10)
InChIKeyJTDUHPDAOZKFFJ-UHFFFAOYSA-N
XLogP0.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oxo-3-(2,2,2-trifluoroethyl)-1,3-oxazinane-5-carboxylic acid
CID 83850099
2-Oxo-3-(3,3,3-trifluoropropyl)-1,3-oxazinane-5-carboxylic acid
CID 83851059
2-[3-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]acetic acid
CID 15485137
3-(2-Oxo-1,3-oxazinan-3-yl)propanoic acid
CID 61349431
2-[[Ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-hydroxypropanoic acid
CID 121346626
3-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-oxazinane-5-carboxylic acid
CID 153353813
3-[4-(2-Methylpropoxycarbonyl)piperazin-1-yl]propanoic acid
CID 43522246
3-[4-(Ethoxycarbonyl)piperazin-1-YL]-2-methylpropanoic acid
CID 52984107
2-Methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
CID 62670090
2-[(2-Oxo-1,3-oxazinan-3-yl)methyl]butanoic acid
CID 65219925
3-Methyl-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83845755
3-Cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83846946

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
The IUPAC name of 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid (CID 83846284) is 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
The canonical SMILES for 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid is CCN1CC(C(=O)O)COC1=O.
What is the InChIKey of 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
The InChIKey is JTDUHPDAOZKFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-8-3-5(6(9)10)4-12-7(8)11/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid is sourced from PubChem (CID 83846284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).