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

C8H10N4O5 — CID 62687823

IUPAC1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1nonc1C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C8H10N4O5/c9-6-5(10-17-11-6)7(14)12-2-3(13)1-4(12)8(15)16/h3-4,13H,1-2H2,(H2,9,11)(H,15,16)
InChIKeyBIZGHNOWVXDGHI-UHFFFAOYSA-N
MW242.19 g/mol
LogP-1.69
Rot. Bonds2

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

1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 62687823) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID62687823
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1nonc1C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C8H10N4O5/c9-6-5(10-17-11-6)7(14)12-2-3(13)1-4(12)8(15)16/h3-4,13H,1-2H2,(H2,9,11)(H,15,16)
InChIKeyBIZGHNOWVXDGHI-UHFFFAOYSA-N
XLogP-1.69
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-amino-1,2,5-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 62687637
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62792655
1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113447652
(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104742427
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778304
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(2R,4R)-4-hydroxy-1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000895
(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62794481
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171398
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 62687823) is 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is Nc1nonc1C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BIZGHNOWVXDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5/c9-6-5(10-17-11-6)7(14)12-2-3(13)1-4(12)8(15)16/h3-4,13H,1-2H2,(H2,9,11)(H,15,16).
What are the key properties of 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 242.19 g/mol, XLogP of -1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62687823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).