cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C11H15N3O4 — CID 114183241

About cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 114183241) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
• PubChem CID: 114183241
• Molecular Formula: C11H15N3O4
• Molecular Weight: 253.26 g/mol
• Exact Mass: 253.11
• IUPAC Name: cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
• SMILES: CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCCc1ncno1
• InChI: InChI=1S/C11H15N3O4/c1-11(2)7(8(11)10(16)17)9(15)12-4-3-6-13-5-14-18-6/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1
• InChIKey: PUAIROGVCHKCGN-SFYZADRCSA-N
• XLogP: 0.09
• TPSA: 105.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.26
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 114183241) is cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)NCCc1ncno1.

What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?

The InChIKey is PUAIROGVCHKCGN-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2)7(8(11)10(16)17)9(15)12-4-3-6-13-5-14-18-6/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,16,17)/t7-,8+/m1/s1.

What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?

cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114183241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).