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

C14H15N5O4 — CID 119194704

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

2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid (PubChem CID 119194704) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
• PubChem CID: 119194704
• Molecular Formula: C14H15N5O4
• Molecular Weight: 317.31 g/mol
• Exact Mass: 317.11
• IUPAC Name: 2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
• SMILES: O=C(O)CN(C(=O)CCc1nc(-c2ncccn2)no1)C1CC1
• InChI: InChI=1S/C14H15N5O4/c20-11(19(8-12(21)22)9-2-3-9)5-4-10-17-14(18-23-10)13-15-6-1-7-16-13/h1,6-7,9H,2-5,8H2,(H,21,22)
• InChIKey: HRDZJEZZSKWJFT-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 122.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.31
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid (CID 119194704) is 2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid.

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

The canonical SMILES for 2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCc1nc(-c2ncccn2)no1)C1CC1.

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

The InChIKey is HRDZJEZZSKWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c20-11(19(8-12(21)22)9-2-3-9)5-4-10-17-14(18-23-10)13-15-6-1-7-16-13/h1,6-7,9H,2-5,8H2,(H,21,22).

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

2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid has a molecular weight of 317.31 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119194704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).