3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid

C16H25N3O4 — CID 124681946

About 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid (PubChem CID 124681946) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
• PubChem CID: 124681946
• Molecular Formula: C16H25N3O4
• Molecular Weight: 323.39 g/mol
• Exact Mass: 323.18
• IUPAC Name: 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
• SMILES: CC(C)c1noc(CCC(=O)N2CCCC[C@@H]2CCC(=O)O)n1
• InChI: InChI=1S/C16H25N3O4/c1-11(2)16-17-13(23-18-16)7-8-14(20)19-10-4-3-5-12(19)6-9-15(21)22/h11-12H,3-10H2,1-2H3,(H,21,22)/t12-/m1/s1
• InChIKey: VJDABZCWEBOFID-GFCCVEGCSA-N
• XLogP: 2.37
• TPSA: 96.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.39
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid?

The IUPAC name of 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid (CID 124681946) is 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid.

What is the SMILES notation for 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid?

The canonical SMILES for 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid is CC(C)c1noc(CCC(=O)N2CCCC[C@@H]2CCC(=O)O)n1.

What is the InChIKey of 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid?

The InChIKey is VJDABZCWEBOFID-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11(2)16-17-13(23-18-16)7-8-14(20)19-10-4-3-5-12(19)6-9-15(21)22/h11-12H,3-10H2,1-2H3,(H,21,22)/t12-/m1/s1.

What are the key properties of 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid?

3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124681946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).