2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid

C12H19N3O4 — CID 65284802

IUPAC2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
SMILESCc1nc(C(=O)NC(C)CCCC(C)C(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-7(12(17)18)5-4-6-8(2)13-11(16)10-14-9(3)19-15-10/h7-8H,4-6H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyPROZBYHQGWPKGI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.39
Rot. Bonds7

About 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid

2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid (PubChem CID 65284802) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
PubChem CID65284802
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
SMILESCc1nc(C(=O)NC(C)CCCC(C)C(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-7(12(17)18)5-4-6-8(2)13-11(16)10-14-9(3)19-15-10/h7-8H,4-6H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyPROZBYHQGWPKGI-UHFFFAOYSA-N
XLogP1.39
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 65191352
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 106420290
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
4-methyl-5-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 82684064
2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
CID 65285303
6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid
CID 65285580
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide
CID 23586807
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid (CID 65284802) is 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid is Cc1nc(C(=O)NC(C)CCCC(C)C(=O)O)no1.
What is the InChIKey of 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid?
The InChIKey is PROZBYHQGWPKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7(12(17)18)5-4-6-8(2)13-11(16)10-14-9(3)19-15-10/h7-8H,4-6H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid?
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 65284802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).