2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid

C12H19N3O4 — CID 43469726

IUPAC2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)CCc1nc(C)no1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-3-4-5-9(12(17)18)14-10(16)6-7-11-13-8(2)15-19-11/h9H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOKGJOBPJWAGKIS-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.07
Rot. Bonds8

About 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid

2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid (PubChem CID 43469726) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid
PubChem CID43469726
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)CCc1nc(C)no1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-3-4-5-9(12(17)18)14-10(16)6-7-11-13-8(2)15-19-11/h9H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOKGJOBPJWAGKIS-UHFFFAOYSA-N
XLogP1.07
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-phenylpropanoic acid
CID 119165693
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]hexanoic acid
CID 120614345
(2S,3S)-3-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193842
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-2-[3-(4-methylphenyl)propanoylamino]hexanoic acid
CID 107143935
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
CID 120615569

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid?
The IUPAC name of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid (CID 43469726) is 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid.
What is the SMILES notation for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid?
The canonical SMILES for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid is CCCCC(NC(=O)CCc1nc(C)no1)C(=O)O.
What is the InChIKey of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid?
The InChIKey is OKGJOBPJWAGKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-4-5-9(12(17)18)14-10(16)6-7-11-13-8(2)15-19-11/h9H,3-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid?
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid is sourced from PubChem (CID 43469726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).