4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid

C9H15NO3 — CID 138470278

IUPAC4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC1C(C)OC(C)(C)N1C(=O)O
InChIInChI=1S/C9H15NO3/c1-5-7-6(2)13-9(3,4)10(7)8(11)12/h5-7H,1H2,2-4H3,(H,11,12)
InChIKeyMHLDXNCAJDYWDZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.68
Rot. Bonds1

About 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid

4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 138470278) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID138470278
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC1C(C)OC(C)(C)N1C(=O)O
InChIInChI=1S/C9H15NO3/c1-5-7-6(2)13-9(3,4)10(7)8(11)12/h5-7H,1H2,2-4H3,(H,11,12)
InChIKeyMHLDXNCAJDYWDZ-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid (CID 138470278) is 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid is C=CC1C(C)OC(C)(C)N1C(=O)O.
What is the InChIKey of 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is MHLDXNCAJDYWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-7-6(2)13-9(3,4)10(7)8(11)12/h5-7H,1H2,2-4H3,(H,11,12).
What are the key properties of 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid?
4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 138470278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).