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

C10H15N3O4 — CID 82684064

IUPAC4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NCC(C)CCC(=O)O)no1
InChIInChI=1S/C10H15N3O4/c1-6(3-4-8(14)15)5-11-10(16)9-12-7(2)17-13-9/h6H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyXHVDZCCKZLYWGQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.61
Rot. Bonds6

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

4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid (PubChem CID 82684064) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
PubChem CID82684064
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NCC(C)CCC(=O)O)no1
InChIInChI=1S/C10H15N3O4/c1-6(3-4-8(14)15)5-11-10(16)9-12-7(2)17-13-9/h6H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyXHVDZCCKZLYWGQ-UHFFFAOYSA-N
XLogP0.61
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 82684188
4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82012849
4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 82009827
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
CID 65284802
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
CID 115429755
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 65191352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid (CID 82684064) is 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid is Cc1nc(C(=O)NCC(C)CCC(=O)O)no1.
What is the InChIKey of 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is XHVDZCCKZLYWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(3-4-8(14)15)5-11-10(16)9-12-7(2)17-13-9/h6H,3-5H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid?
4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82684064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).