5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C11H15N3O4 — CID 83193478

IUPAC5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCc1nc(CN2CC(C(=O)O)CC2=O)no1
InChIInChI=1S/C11H15N3O4/c1-2-3-9-12-8(13-18-9)6-14-5-7(11(16)17)4-10(14)15/h7H,2-6H2,1H3,(H,16,17)
InChIKeyYHFDJUYGWGGQCH-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.46
Rot. Bonds5

About 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 83193478) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID83193478
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCc1nc(CN2CC(C(=O)O)CC2=O)no1
InChIInChI=1S/C11H15N3O4/c1-2-3-9-12-8(13-18-9)6-14-5-7(11(16)17)4-10(14)15/h7H,2-6H2,1H3,(H,16,17)
InChIKeyYHFDJUYGWGGQCH-UHFFFAOYSA-N
XLogP0.46
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50953797
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
(3R)-1-ethyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 95129979
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50965200
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 95130069
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 83193478) is 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is CCCc1nc(CN2CC(C(=O)O)CC2=O)no1.
What is the InChIKey of 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YHFDJUYGWGGQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-3-9-12-8(13-18-9)6-14-5-7(11(16)17)4-10(14)15/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83193478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).