(2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid

C16H19NO6 — CID 97337384

About (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid

(2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid (PubChem CID 97337384) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
• PubChem CID: 97337384
• Molecular Formula: C16H19NO6
• Molecular Weight: 321.33 g/mol
• Exact Mass: 321.12
• IUPAC Name: (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
• SMILES: COc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)cc2c1OCCO2
• InChI: InChI=1S/C16H19NO6/c1-16(15(19)20,10-3-4-10)17-14(18)9-7-11(21-2)13-12(8-9)22-5-6-23-13/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H,19,20)/t16-/m1/s1
• InChIKey: FVKVHDYZTDTLDQ-MRXNPFEDSA-N
• XLogP: 1.45
• TPSA: 94.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.33
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid?

The IUPAC name of (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid (CID 97337384) is (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid.

What is the SMILES notation for (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid?

The canonical SMILES for (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid is COc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)cc2c1OCCO2.

What is the InChIKey of (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid?

The InChIKey is FVKVHDYZTDTLDQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO6/c1-16(15(19)20,10-3-4-10)17-14(18)9-7-11(21-2)13-12(8-9)22-5-6-23-13/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H,19,20)/t16-/m1/s1.

What are the key properties of (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid?

(2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid has a molecular weight of 321.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-cyclopropyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97337384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).