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

C8H10N4O4 — CID 62687637

IUPAC1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNc1nonc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H10N4O4/c9-6-5(10-16-11-6)7(13)12-3-1-2-4(12)8(14)15/h4H,1-3H2,(H2,9,11)(H,14,15)
InChIKeyNHKOXSIDBXIELF-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.66
Rot. Bonds2

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

1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 62687637) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID62687637
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNc1nonc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H10N4O4/c9-6-5(10-16-11-6)7(13)12-3-1-2-4(12)8(14)15/h4H,1-3H2,(H2,9,11)(H,14,15)
InChIKeyNHKOXSIDBXIELF-UHFFFAOYSA-N
XLogP-0.66
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(3-aminopyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371307
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62687823
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369732
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 62685981
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167078
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 62687637) is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid is Nc1nonc1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NHKOXSIDBXIELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c9-6-5(10-16-11-6)7(13)12-3-1-2-4(12)8(14)15/h4H,1-3H2,(H2,9,11)(H,14,15).
What are the key properties of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -0.66, 2 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)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62687637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).