2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid

C17H19N3O5 — CID 119195233

About 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid

2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid (PubChem CID 119195233) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
• PubChem CID: 119195233
• Molecular Formula: C17H19N3O5
• Molecular Weight: 345.36 g/mol
• Exact Mass: 345.13
• IUPAC Name: 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
• SMILES: COc1ccc(-c2noc(CCC(=O)N(CC(=O)O)C3CC3)n2)cc1
• InChI: InChI=1S/C17H19N3O5/c1-24-13-6-2-11(3-7-13)17-18-14(25-19-17)8-9-15(21)20(10-16(22)23)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,22,23)
• InChIKey: HKGXCQAMMUUXNH-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 105.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.36
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid?

The IUPAC name of 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid (CID 119195233) is 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid.

What is the SMILES notation for 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid?

The canonical SMILES for 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid is COc1ccc(-c2noc(CCC(=O)N(CC(=O)O)C3CC3)n2)cc1.

What is the InChIKey of 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid?

The InChIKey is HKGXCQAMMUUXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-24-13-6-2-11(3-7-13)17-18-14(25-19-17)8-9-15(21)20(10-16(22)23)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,22,23).

What are the key properties of 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid?

2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid is sourced from PubChem (CID 119195233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).