2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid

C21H26N2O5 — CID 122042528

About 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122042528) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122042528
• Molecular Formula: C21H26N2O5
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.18
• IUPAC Name: 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
• SMILES: CCN(CC(=O)O)C1CC(NCc2ccc(-c3ccccc3C(=O)OC)o2)C1
• InChI: InChI=1S/C21H26N2O5/c1-3-23(13-20(24)25)15-10-14(11-15)22-12-16-8-9-19(28-16)17-6-4-5-7-18(17)21(26)27-2/h4-9,14-15,22H,3,10-13H2,1-2H3,(H,24,25)
• InChIKey: UWDKDJCCIICXBM-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 92.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid (CID 122042528) is 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NCc2ccc(-c3ccccc3C(=O)OC)o2)C1.

What is the InChIKey of 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?

The InChIKey is UWDKDJCCIICXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-3-23(13-20(24)25)15-10-14(11-15)22-12-16-8-9-19(28-16)17-6-4-5-7-18(17)21(26)27-2/h4-9,14-15,22H,3,10-13H2,1-2H3,(H,24,25).

What are the key properties of 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?

2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122042528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).