2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid

C24H36N2O5 — CID 158766073

About 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid

2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (PubChem CID 158766073) has the molecular formula C24H36N2O5 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.

Molecular Properties

• Compound Name: 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
• PubChem CID: 158766073
• Molecular Formula: C24H36N2O5
• Molecular Weight: 432.56 g/mol
• Exact Mass: 432.26
• IUPAC Name: 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
• SMILES: CC(C)COC(=O)NC(CCOC1CC(CCc2ccc3c(n2)CCCC3)C1)C(=O)O
• InChI: InChI=1S/C24H36N2O5/c1-16(2)15-31-24(29)26-22(23(27)28)11-12-30-20-13-17(14-20)7-9-19-10-8-18-5-3-4-6-21(18)25-19/h8,10,16-17,20,22H,3-7,9,11-15H2,1-2H3,(H,26,29)(H,27,28)
• InChIKey: IPGUYTTYNDBQCC-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 97.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.56
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

The IUPAC name of 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (CID 158766073) is 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.

What is the SMILES notation for 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

The canonical SMILES for 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is CC(C)COC(=O)NC(CCOC1CC(CCc2ccc3c(n2)CCCC3)C1)C(=O)O.

What is the InChIKey of 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

The InChIKey is IPGUYTTYNDBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5/c1-16(2)15-31-24(29)26-22(23(27)28)11-12-30-20-13-17(14-20)7-9-19-10-8-18-5-3-4-6-21(18)25-19/h8,10,16-17,20,22H,3-7,9,11-15H2,1-2H3,(H,26,29)(H,27,28).

What are the key properties of 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid?

2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid has a molecular weight of 432.56 g/mol, XLogP of 3.91, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylpropoxycarbonylamino)-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is sourced from PubChem (CID 158766073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).