2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid

C18H20N2O4 — CID 119346292

About 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid

2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid (PubChem CID 119346292) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid
• PubChem CID: 119346292
• Molecular Formula: C18H20N2O4
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.14
• IUPAC Name: 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC(=O)O
• InChI: InChI=1S/C18H20N2O4/c1-12-9-13-5-3-4-6-15(13)20(12)10-16-14(7-8-24-16)18(23)19(2)11-17(21)22/h3-8,12H,9-11H2,1-2H3,(H,21,22)
• InChIKey: WLWWIOVYIVNXJA-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid?

The IUPAC name of 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid (CID 119346292) is 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid is CC1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC(=O)O.

What is the InChIKey of 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid?

The InChIKey is WLWWIOVYIVNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-9-13-5-3-4-6-15(13)20(12)10-16-14(7-8-24-16)18(23)19(2)11-17(21)22/h3-8,12H,9-11H2,1-2H3,(H,21,22).

What are the key properties of 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid?

2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119346292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).