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

C11H19N3O3 — CID 54959733

IUPAC3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid
SMILESCCc1nc(CN(CCC(=O)O)C(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(8(2)3)6-5-11(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyRPPSFYSCLLHHLS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.32
Rot. Bonds7

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

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid (PubChem CID 54959733) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid
PubChem CID54959733
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid
SMILESCCc1nc(CN(CCC(=O)O)C(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(8(2)3)6-5-11(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyRPPSFYSCLLHHLS-UHFFFAOYSA-N
XLogP1.32
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid (CID 54959733) is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid is CCc1nc(CN(CCC(=O)O)C(C)C)no1.
What is the InChIKey of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid?
The InChIKey is RPPSFYSCLLHHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(8(2)3)6-5-11(15)16/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid?
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 54959733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).