1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

C11H16N4O4 — CID 63144967

IUPAC1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2nonc2N)C1
InChIInChI=1S/C11H16N4O4/c1-2-3-11(10(17)18)4-5-15(6-11)9(16)7-8(12)14-19-13-7/h2-6H2,1H3,(H2,12,14)(H,17,18)
InChIKeyBEUUHVUZJLBLOP-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.37
Rot. Bonds4

About 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63144967) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63144967
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2nonc2N)C1
InChIInChI=1S/C11H16N4O4/c1-2-3-11(10(17)18)4-5-15(6-11)9(16)7-8(12)14-19-13-7/h2-6H2,1H3,(H2,12,14)(H,17,18)
InChIKeyBEUUHVUZJLBLOP-UHFFFAOYSA-N
XLogP0.37
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1,2,5-oxadiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219737
(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92592011
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
1-(2,5-dimethylbenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145288
1-(4-chloro-1H-pyrrole-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144942
1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145257
1-(5-bromothiophene-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145761
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63144967) is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2nonc2N)C1.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is BEUUHVUZJLBLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-3-11(10(17)18)4-5-15(6-11)9(16)7-8(12)14-19-13-7/h2-6H2,1H3,(H2,12,14)(H,17,18).
What are the key properties of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).