2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H14N2O4 — CID 83075548

IUPAC2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1ccon1
InChIInChI=1S/C11H14N2O4/c1-2-11(10(15)16)5-3-6-13(11)9(14)8-4-7-17-12-8/h4,7H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyYNIIOZIWONEHMP-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.14
Rot. Bonds3

About 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83075548) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83075548
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1ccon1
InChIInChI=1S/C11H14N2O4/c1-2-11(10(15)16)5-3-6-13(11)9(14)8-4-7-17-12-8/h4,7H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyYNIIOZIWONEHMP-UHFFFAOYSA-N
XLogP1.14
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83070554
1-(3,4-dichlorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83076119
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
1-(2,5-dimethylpyrazole-3-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075103
2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075485
2-ethyl-1-(2-hydroxy-5-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075957
1-(1-benzothiophene-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83058030
2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83059025
1-(2-amino-5-methylbenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070726
2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 146145461

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 83075548) is 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1ccon1.
What is the InChIKey of 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YNIIOZIWONEHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-11(10(15)16)5-3-6-13(11)9(14)8-4-7-17-12-8/h4,7H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83075548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).