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

C11H17N3O3 — CID 54959732

IUPAC3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCCc1nc(CN(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C11H17N3O3/c1-2-10-12-9(13-17-10)7-14(8-3-4-8)6-5-11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyIPALYIAMQUTTJI-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.07
Rot. Bonds7

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

3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (PubChem CID 54959732) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
PubChem CID54959732
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCCc1nc(CN(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C11H17N3O3/c1-2-10-12-9(13-17-10)7-14(8-3-4-8)6-5-11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyIPALYIAMQUTTJI-UHFFFAOYSA-N
XLogP1.07
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (CID 54959732) is 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is CCc1nc(CN(CCC(=O)O)C2CC2)no1.
What is the InChIKey of 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is IPALYIAMQUTTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-10-12-9(13-17-10)7-14(8-3-4-8)6-5-11(15)16/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 54959732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).