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

C18H20N2O4 — CID 119369916

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

(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid (PubChem CID 119369916) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
• PubChem CID: 119369916
• Molecular Formula: C18H20N2O4
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.14
• IUPAC Name: (2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)N[C@H](C)C(=O)O
• InChI: InChI=1S/C18H20N2O4/c1-11-9-13-5-3-4-6-15(13)20(11)10-16-14(7-8-24-16)17(21)19-12(2)18(22)23/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,22,23)/t11?,12-/m1/s1
• InChIKey: MQCLBLOQTSLTHO-PIJUOVFKSA-N
• XLogP: 2.43
• TPSA: 82.78 Ų
• H-Bond Donors: 2
• 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	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid (CID 119369916) is (2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid.

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

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

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

The InChIKey is MQCLBLOQTSLTHO-PIJUOVFKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-9-13-5-3-4-6-15(13)20(11)10-16-14(7-8-24-16)17(21)19-12(2)18(22)23/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,22,23)/t11?,12-/m1/s1.

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

(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119369916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).