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

C11H19N3O3 — CID 55123549

IUPAC2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(C)c1nc(CN(C)C(C)(C)C(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-7(2)9-12-8(13-17-9)6-14(5)11(3,4)10(15)16/h7H,6H2,1-5H3,(H,15,16)
InChIKeyVFPOCOHDZWSOGK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.49
Rot. Bonds5

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

2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (PubChem CID 55123549) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
PubChem CID55123549
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(C)c1nc(CN(C)C(C)(C)C(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-7(2)9-12-8(13-17-9)6-14(5)11(3,4)10(15)16/h7H,6H2,1-5H3,(H,15,16)
InChIKeyVFPOCOHDZWSOGK-UHFFFAOYSA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 45807995
3-Ethyl-5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53525886
2-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]ethanol
CID 45817056
Methyl 2-[propyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
CID 53544370
3-propan-2-yl-5-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-oxadiazole
CID 93610021
N-tert-butyl-2-[methyl-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 93610067
2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
CID 97239688
2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid
CID 161554746
2-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257878
2-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257934
2-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257949
2-[(3-Propyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258197

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (CID 55123549) is 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is CC(C)c1nc(CN(C)C(C)(C)C(=O)O)no1.
What is the InChIKey of 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is VFPOCOHDZWSOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)9-12-8(13-17-9)6-14(5)11(3,4)10(15)16/h7H,6H2,1-5H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 55123549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).