2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

C19H26N6O3 — CID 122079968

About 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122079968) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122079968
• Molecular Formula: C19H26N6O3
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.21
• IUPAC Name: 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
• SMILES: CCN(CC(=O)O)C1CC(NC(=O)Nc2ccccc2-c2nncn2CC)C1
• InChI: InChI=1S/C19H26N6O3/c1-3-24(11-17(26)27)14-9-13(10-14)21-19(28)22-16-8-6-5-7-15(16)18-23-20-12-25(18)4-2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,26,27)(H2,21,22,28)
• InChIKey: UADOUWUBTDGRFE-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 112.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (CID 122079968) is 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.

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

The canonical SMILES for 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2ccccc2-c2nncn2CC)C1.

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

The InChIKey is UADOUWUBTDGRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-3-24(11-17(26)27)14-9-13(10-14)21-19(28)22-16-8-6-5-7-15(16)18-23-20-12-25(18)4-2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,26,27)(H2,21,22,28).

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

2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 386.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122079968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).