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

C24H34N2O5 — CID 158031009

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

2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (PubChem CID 158031009) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.

Molecular Properties

• Compound Name: 2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
• PubChem CID: 158031009
• Molecular Formula: C24H34N2O5
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.25
• IUPAC Name: 2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid
• SMILES: CC1(C(=O)NC(CCOC2CC(CCc3ccc4c(n3)CCCC4)C2)C(=O)O)COC1
• InChI: InChI=1S/C24H34N2O5/c1-24(14-30-15-24)23(29)26-21(22(27)28)10-11-31-19-12-16(13-19)6-8-18-9-7-17-4-2-3-5-20(17)25-18/h7,9,16,19,21H,2-6,8,10-15H2,1H3,(H,26,29)(H,27,28)
• InChIKey: FHEFRGFNJMCCNU-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 97.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid (CID 158031009) is 2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid.

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

The canonical SMILES for 2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is CC1(C(=O)NC(CCOC2CC(CCc3ccc4c(n3)CCCC4)C2)C(=O)O)COC1.

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

The InChIKey is FHEFRGFNJMCCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-24(14-30-15-24)23(29)26-21(22(27)28)10-11-31-19-12-16(13-19)6-8-18-9-7-17-4-2-3-5-20(17)25-18/h7,9,16,19,21H,2-6,8,10-15H2,1H3,(H,26,29)(H,27,28).

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

2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid has a molecular weight of 430.55 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methyloxetane-3-carbonyl)amino]-4-[3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]cyclobutyl]oxybutanoic acid is sourced from PubChem (CID 158031009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).