2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid

C15H23N5O4 — CID 122094218

About 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122094218) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122094218
• Molecular Formula: C15H23N5O4
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.18
• IUPAC Name: 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• SMILES: CCc1noc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n1
• InChI: InChI=1S/C15H23N5O4/c1-2-12-17-15(24-19-12)18-14(23)16-10-5-11(6-10)20(8-13(21)22)7-9-3-4-9/h9-11H,2-8H2,1H3,(H,21,22)(H2,16,17,18,19,23)
• InChIKey: NOSIIWXAVGLJQM-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 120.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122094218) is 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid is CCc1noc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n1.

What is the InChIKey of 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The InChIKey is NOSIIWXAVGLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-2-12-17-15(24-19-12)18-14(23)16-10-5-11(6-10)20(8-13(21)22)7-9-3-4-9/h9-11H,2-8H2,1H3,(H,21,22)(H2,16,17,18,19,23).

What are the key properties of 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 337.38 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropylmethyl-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122094218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).