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

C8H11NO4 — CID 83846946

IUPAC3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid
SMILESO=C(O)C1COC(=O)N(C2CC2)C1
InChIInChI=1S/C8H11NO4/c10-7(11)5-3-9(6-1-2-6)8(12)13-4-5/h5-6H,1-4H2,(H,10,11)
InChIKeyFACMCPGVFNSCSW-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.30
Rot. Bonds2

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

3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid (PubChem CID 83846946) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid
PubChem CID83846946
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid
SMILESO=C(O)C1COC(=O)N(C2CC2)C1
InChIInChI=1S/C8H11NO4/c10-7(11)5-3-9(6-1-2-6)8(12)13-4-5/h5-6H,1-4H2,(H,10,11)
InChIKeyFACMCPGVFNSCSW-UHFFFAOYSA-N
XLogP0.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-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-(3,3,3-trifluoropropyl)-1,3-oxazinane-5-carboxylic acid
CID 83851059
3-[Cyclopropyl(2-methylpropoxycarbonyl)amino]propanoic acid
CID 60828271
2-Methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
CID 62670090
3-Methyl-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83845755
3-Ethyl-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83846284
2-Oxo-3-propan-2-yl-1,3-oxazinane-5-carboxylic acid
CID 83847070
3-(2-Methylpropyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83848062
3-(5-Methyl-2-oxo-1,3-oxazinan-3-yl)propanoic acid
CID 84033792
2-Methyl-3-(5-methyl-2-oxo-1,3-oxazinan-3-yl)propanoic acid
CID 84035120
3-(5-Methyl-2-oxo-1,3-oxazinan-3-yl)butanoic acid
CID 112546521
2-Oxo-3-propyl-1,3-oxazinane-5-carboxylic acid
CID 117010248
3-Butyl-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010250

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid (CID 83846946) is 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid is O=C(O)C1COC(=O)N(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
The InChIKey is FACMCPGVFNSCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-7(11)5-3-9(6-1-2-6)8(12)13-4-5/h5-6H,1-4H2,(H,10,11).
What are the key properties of 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid?
3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-oxo-1,3-oxazinane-5-carboxylic acid is sourced from PubChem (CID 83846946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).