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

C13H20N4O4 — CID 106402628

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCc2noc(C)n2)C1
InChIInChI=1S/C13H20N4O4/c1-3-4-13(11(18)19)5-6-17(8-13)12(20)14-7-10-15-9(2)21-16-10/h3-8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyBGMMUJHODARTNO-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.16
Rot. Bonds5

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

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 106402628) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID106402628
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCc2noc(C)n2)C1
InChIInChI=1S/C13H20N4O4/c1-3-4-13(11(18)19)5-6-17(8-13)12(20)14-7-10-15-9(2)21-16-10/h3-8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyBGMMUJHODARTNO-UHFFFAOYSA-N
XLogP1.16
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114184272
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106403146
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147373
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55164801
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
1-[3-(methylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149331
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63958831
3-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63146020

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 106402628) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NCc2noc(C)n2)C1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is BGMMUJHODARTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-4-13(11(18)19)5-6-17(8-13)12(20)14-7-10-15-9(2)21-16-10/h3-8H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106402628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).