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

C13H21N3O4 — CID 43431502

IUPACmethyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)CCc1nc(C)no1)C(=O)OC
InChIInChI=1S/C13H21N3O4/c1-5-8-13(3,12(18)19-4)15-10(17)6-7-11-14-9(2)16-20-11/h5-8H2,1-4H3,(H,15,17)
InChIKeyFHVPEPSRSBCJIK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.16
Rot. Bonds7

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

methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate (PubChem CID 43431502) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate
PubChem CID43431502
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namemethyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)CCc1nc(C)no1)C(=O)OC
InChIInChI=1S/C13H21N3O4/c1-5-8-13(3,12(18)19-4)15-10(17)6-7-11-14-9(2)16-20-11/h5-8H2,1-4H3,(H,15,17)
InChIKeyFHVPEPSRSBCJIK-UHFFFAOYSA-N
XLogP1.16
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxy-2-methylbutan-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115869991
3,3,3-trifluoro-2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 79795813
3-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 64672859
2-cyclopropyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43360398
2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119191937
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103933442
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64557390
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate (CID 43431502) is methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate is CCCC(C)(NC(=O)CCc1nc(C)no1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate?
The InChIKey is FHVPEPSRSBCJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-5-8-13(3,12(18)19-4)15-10(17)6-7-11-14-9(2)16-20-11/h5-8H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate?
methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate has a molecular weight of 283.33 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate is sourced from PubChem (CID 43431502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).