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

C11H16N4O4 — CID 79383131

IUPAC2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1noc(CNC(=O)N2CCC(C(=O)O)C2C)n1
InChIInChI=1S/C11H16N4O4/c1-6-8(10(16)17)3-4-15(6)11(18)12-5-9-13-7(2)14-19-9/h6,8H,3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyKKPMWTXHQLAUMV-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.38
Rot. Bonds3

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

2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79383131) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79383131
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1noc(CNC(=O)N2CCC(C(=O)O)C2C)n1
InChIInChI=1S/C11H16N4O4/c1-6-8(10(16)17)3-4-15(6)11(18)12-5-9-13-7(2)14-19-9/h6,8H,3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyKKPMWTXHQLAUMV-UHFFFAOYSA-N
XLogP0.38
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.38
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
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
1-[(4-cyanophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377623
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383293
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 110924276
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
2-methyl-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 79383290
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 79383131) is 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is Cc1noc(CNC(=O)N2CCC(C(=O)O)C2C)n1.
What is the InChIKey of 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KKPMWTXHQLAUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6-8(10(16)17)3-4-15(6)11(18)12-5-9-13-7(2)14-19-9/h6,8H,3-5H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).