2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid

C8H11N3O5 — CID 107832050

IUPAC2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCc1nc(C(=O)NCCC(O)C(=O)O)no1
InChIInChI=1S/C8H11N3O5/c1-4-10-6(11-16-4)7(13)9-3-2-5(12)8(14)15/h5,12H,2-3H2,1H3,(H,9,13)(H,14,15)
InChIKeyYMOOSGBSPRUWPT-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.06
Rot. Bonds5

About 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid

2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (PubChem CID 107832050) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
PubChem CID107832050
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCc1nc(C(=O)NCCC(O)C(=O)O)no1
InChIInChI=1S/C8H11N3O5/c1-4-10-6(11-16-4)7(13)9-3-2-5(12)8(14)15/h5,12H,2-3H2,1H3,(H,9,13)(H,14,15)
InChIKeyYMOOSGBSPRUWPT-UHFFFAOYSA-N
XLogP-1.06
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 82684064
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
CID 65284802
(2S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834336
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
CID 115429755
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 107834693
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (CID 107832050) is 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is Cc1nc(C(=O)NCCC(O)C(=O)O)no1.
What is the InChIKey of 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The InChIKey is YMOOSGBSPRUWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c1-4-10-6(11-16-4)7(13)9-3-2-5(12)8(14)15/h5,12H,2-3H2,1H3,(H,9,13)(H,14,15).
What are the key properties of 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid has a molecular weight of 229.19 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107832050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).