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

C12H13N3O3S — CID 54945171

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

2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid (PubChem CID 54945171) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
• PubChem CID: 54945171
• Molecular Formula: C12H13N3O3S
• Molecular Weight: 279.32 g/mol
• Exact Mass: 279.07
• IUPAC Name: 2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
• SMILES: O=C(O)CN(Cc1nnc(-c2cccs2)o1)C1CC1
• InChI: InChI=1S/C12H13N3O3S/c16-11(17)7-15(8-3-4-8)6-10-13-14-12(18-10)9-2-1-5-19-9/h1-2,5,8H,3-4,6-7H2,(H,16,17)
• InChIKey: SYEGEWZDDDENJV-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 79.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.32
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid (CID 54945171) is 2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid.

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

The canonical SMILES for 2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1nnc(-c2cccs2)o1)C1CC1.

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

The InChIKey is SYEGEWZDDDENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-11(17)7-15(8-3-4-8)6-10-13-14-12(18-10)9-2-1-5-19-9/h1-2,5,8H,3-4,6-7H2,(H,16,17).

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

2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid has a molecular weight of 279.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 54945171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).