(2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid

C17H21NO4 — CID 124699351

About (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid

(2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid (PubChem CID 124699351) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid
• PubChem CID: 124699351
• Molecular Formula: C17H21NO4
• Molecular Weight: 303.36 g/mol
• Exact Mass: 303.15
• IUPAC Name: (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid
• SMILES: Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@](C)(C(=O)O)C1CC1)C2
• InChI: InChI=1S/C17H21NO4/c1-9-6-11-8-14(22-13(11)7-10(9)2)15(19)18-17(3,16(20)21)12-4-5-12/h6-7,12,14H,4-5,8H2,1-3H3,(H,18,19)(H,20,21)/t14-,17-/m1/s1
• InChIKey: HZDUSNWGBBDWMC-RHSMWYFYSA-N
• XLogP: 1.98
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.36
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid?

The IUPAC name of (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid (CID 124699351) is (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid.

What is the SMILES notation for (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid?

The canonical SMILES for (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid is Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@](C)(C(=O)O)C1CC1)C2.

What is the InChIKey of (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid?

The InChIKey is HZDUSNWGBBDWMC-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-9-6-11-8-14(22-13(11)7-10(9)2)15(19)18-17(3,16(20)21)12-4-5-12/h6-7,12,14H,4-5,8H2,1-3H3,(H,18,19)(H,20,21)/t14-,17-/m1/s1.

What are the key properties of (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid?

(2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid has a molecular weight of 303.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-cyclopropyl-2-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 124699351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).