4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid

C11H17N3O4 — CID 43172420

IUPAC4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
SMILESCc1noc(CCC(=O)N(C)CCCC(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-8-12-9(18-13-8)5-6-10(15)14(2)7-3-4-11(16)17/h3-7H2,1-2H3,(H,16,17)
InChIKeyRZPQTNUFEXKIJW-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.63
Rot. Bonds7

About 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid

4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid (PubChem CID 43172420) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
PubChem CID43172420
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
SMILESCc1noc(CCC(=O)N(C)CCCC(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-8-12-9(18-13-8)5-6-10(15)14(2)7-3-4-11(16)17/h3-7H2,1-2H3,(H,16,17)
InChIKeyRZPQTNUFEXKIJW-UHFFFAOYSA-N
XLogP0.63
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid (CID 43172420) is 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid is Cc1noc(CCC(=O)N(C)CCCC(=O)O)n1.
What is the InChIKey of 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
The InChIKey is RZPQTNUFEXKIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-8-12-9(18-13-8)5-6-10(15)14(2)7-3-4-11(16)17/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 43172420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).