3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

C11H14N2O4 — CID 107370025

IUPAC3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCC1CC(C)N(C(=O)c2cc(C(=O)O)on2)C1
InChIInChI=1S/C11H14N2O4/c1-6-3-7(2)13(5-6)10(14)8-4-9(11(15)16)17-12-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyLCJKIFNJPGODIR-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.24
Rot. Bonds2

About 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107370025) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107370025
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCC1CC(C)N(C(=O)c2cc(C(=O)O)on2)C1
InChIInChI=1S/C11H14N2O4/c1-6-3-7(2)13(5-6)10(14)8-4-9(11(15)16)17-12-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyLCJKIFNJPGODIR-UHFFFAOYSA-N
XLogP1.24
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (CID 107370025) is 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is CC1CC(C)N(C(=O)c2cc(C(=O)O)on2)C1.
What is the InChIKey of 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is LCJKIFNJPGODIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-3-7(2)13(5-6)10(14)8-4-9(11(15)16)17-12-8/h4,6-7H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107370025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).