2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid

C19H23N3O6 — CID 122076318

About 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122076318) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122076318
• Molecular Formula: C19H23N3O6
• Molecular Weight: 389.41 g/mol
• Exact Mass: 389.16
• IUPAC Name: 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• SMILES: CCN(CC(=O)O)C1CC(NC(=O)Nc2ccc3oc(C(=O)OC)cc3c2)C1
• InChI: InChI=1S/C19H23N3O6/c1-3-22(10-17(23)24)14-8-13(9-14)21-19(26)20-12-4-5-15-11(6-12)7-16(28-15)18(25)27-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,23,24)(H2,20,21,26)
• InChIKey: LDDRMKJUTCCXTJ-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 121.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.41
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122076318) is 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2ccc3oc(C(=O)OC)cc3c2)C1.

What is the InChIKey of 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The InChIKey is LDDRMKJUTCCXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-3-22(10-17(23)24)14-8-13(9-14)21-19(26)20-12-4-5-15-11(6-12)7-16(28-15)18(25)27-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,23,24)(H2,20,21,26).

What are the key properties of 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 389.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[3-[(2-methoxycarbonyl-1-benzofuran-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122076318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).