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

C8H10N4O5 — CID 55104148

IUPAC4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESNc1nonc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C8H10N4O5/c9-6-5(10-17-11-6)7(13)12-1-2-16-4(3-12)8(14)15/h4H,1-3H2,(H2,9,11)(H,14,15)
InChIKeyYYHHICNULKMZAT-UHFFFAOYSA-N
MW242.19 g/mol
LogP-1.42
Rot. Bonds2

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

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 55104148) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID55104148
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESNc1nonc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C8H10N4O5/c9-6-5(10-17-11-6)7(13)12-1-2-16-4(3-12)8(14)15/h4H,1-3H2,(H2,9,11)(H,14,15)
InChIKeyYYHHICNULKMZAT-UHFFFAOYSA-N
XLogP-1.42
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid (CID 55104148) is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid is Nc1nonc1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is YYHHICNULKMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5/c9-6-5(10-17-11-6)7(13)12-1-2-16-4(3-12)8(14)15/h4H,1-3H2,(H2,9,11)(H,14,15).
What are the key properties of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid?
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 242.19 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 55104148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).