1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid

C13H21N3O3 — CID 102784953

IUPAC1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCCCc1noc(CN2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-3-4-5-10-14-11(19-15-10)8-16-7-6-9(2)12(16)13(17)18/h9,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyRFQVGIIKOOTEDR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.71
Rot. Bonds6

About 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102784953) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102784953
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCCCc1noc(CN2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-3-4-5-10-14-11(19-15-10)8-16-7-6-9(2)12(16)13(17)18/h9,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyRFQVGIIKOOTEDR-UHFFFAOYSA-N
XLogP1.71
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072051
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784529
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072199
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137572
4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 114426404
5-(2-aminoethyl)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 103118732
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102784953) is 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid is CCCCc1noc(CN2CCC(C)C2C(=O)O)n1.
What is the InChIKey of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is RFQVGIIKOOTEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-4-5-10-14-11(19-15-10)8-16-7-6-9(2)12(16)13(17)18/h9,12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102784953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).