5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid

C10H13N3O4 — CID 168690508

IUPAC5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1nc(N2CC(C(=O)O)CC2=O)no1
InChIInChI=1S/C10H13N3O4/c1-5(2)8-11-10(12-17-8)13-4-6(9(15)16)3-7(13)14/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyLMUKODDOJPCDSQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.63
Rot. Bonds3

About 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 168690508) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID168690508
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1nc(N2CC(C(=O)O)CC2=O)no1
InChIInChI=1S/C10H13N3O4/c1-5(2)8-11-10(12-17-8)13-4-6(9(15)16)3-7(13)14/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyLMUKODDOJPCDSQ-UHFFFAOYSA-N
XLogP0.63
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-iodopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691970
1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690152
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690509
(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95734723
1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691028
1-(6-bromo-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691094
5-oxo-1-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 50882284
1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691966
1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one
CID 121098567
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692144
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166185988
1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690491

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid (CID 168690508) is 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid is CC(C)c1nc(N2CC(C(=O)O)CC2=O)no1.
What is the InChIKey of 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is LMUKODDOJPCDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5(2)8-11-10(12-17-8)13-4-6(9(15)16)3-7(13)14/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).