4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid

C8H10N4O5 — CID 106401316

IUPAC4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)NCc1ncon1
InChIInChI=1S/C8H10N4O5/c13-6(1-2-7(14)15)11-8(16)9-3-5-10-4-17-12-5/h4H,1-3H2,(H,14,15)(H2,9,11,13,16)
InChIKeyHYQRGLPGISUQPX-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.74
Rot. Bonds5

About 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid

4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 106401316) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
PubChem CID106401316
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)NCc1ncon1
InChIInChI=1S/C8H10N4O5/c13-6(1-2-7(14)15)11-8(16)9-3-5-10-4-17-12-5/h4H,1-3H2,(H,14,15)(H2,9,11,13,16)
InChIKeyHYQRGLPGISUQPX-UHFFFAOYSA-N
XLogP-0.74
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 106401317
2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252
3-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 106403568
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid
CID 106403554
(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403428
4-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106419406

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid (CID 106401316) is 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NC(=O)NCc1ncon1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is HYQRGLPGISUQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5/c13-6(1-2-7(14)15)11-8(16)9-3-5-10-4-17-12-5/h4H,1-3H2,(H,14,15)(H2,9,11,13,16).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid?
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 242.19 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 106401316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).