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

C11H16N4O4 — CID 113363783

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1noc(CCNC(=O)N2CCCC2C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-7-13-9(19-14-7)4-5-12-11(18)15-6-2-3-8(15)10(16)17/h8H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyFTQGLKKQMMXXQU-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.18
Rot. Bonds4

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

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 113363783) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID113363783
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1noc(CCNC(=O)N2CCCC2C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-7-13-9(19-14-7)4-5-12-11(18)15-6-2-3-8(15)10(16)17/h8H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyFTQGLKKQMMXXQU-UHFFFAOYSA-N
XLogP0.18
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922501
(2S)-1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184444
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55174454
(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 139322097
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106374898
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420605
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78930077
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 113363783) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1noc(CCNC(=O)N2CCCC2C(=O)O)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FTQGLKKQMMXXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-13-9(19-14-7)4-5-12-11(18)15-6-2-3-8(15)10(16)17/h8H,2-6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113363783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).