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

C11H19N3O3 — CID 55007458

IUPAC2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(CN(C)Cc1noc(C(C)C)n1)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-7(2)10-12-9(13-17-10)6-14(4)5-8(3)11(15)16/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyBZPXNEOVOUHMAZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.35
Rot. Bonds6

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

2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (PubChem CID 55007458) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
PubChem CID55007458
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(CN(C)Cc1noc(C(C)C)n1)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-7(2)10-12-9(13-17-10)6-14(4)5-8(3)11(15)16/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyBZPXNEOVOUHMAZ-UHFFFAOYSA-N
XLogP1.35
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (CID 55007458) is 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is CC(CN(C)Cc1noc(C(C)C)n1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is BZPXNEOVOUHMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)10-12-9(13-17-10)6-14(4)5-8(3)11(15)16/h7-8H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
2-methyl-3-[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 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 55007458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).