(2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid

C19H26FN3O6 — CID 175845234

About (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid

(2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid (PubChem CID 175845234) has the molecular formula C19H26FN3O6 and a molecular weight of 411.43 g/mol. Its IUPAC name is (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid
• PubChem CID: 175845234
• Molecular Formula: C19H26FN3O6
• Molecular Weight: 411.43 g/mol
• Exact Mass: 411.18
• IUPAC Name: (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid
• SMILES: CC(O)C(=O)O.C[C@H](C(=O)NCc1ccccc1F)N1C(=O)CC(N(C)C)C1=O
• InChI: InChI=1S/C16H20FN3O3.C3H6O3/c1-10(20-14(21)8-13(16(20)23)19(2)3)15(22)18-9-11-6-4-5-7-12(11)17;1-2(4)3(5)6/h4-7,10,13H,8-9H2,1-3H3,(H,18,22);2,4H,1H3,(H,5,6)/t10-,13?;/m1./s1
• InChIKey: XCDDMZIKRUSAMS-HXOUFFEYSA-N
• XLogP: -0.03
• TPSA: 127.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.43
LogP ≤ 5	-0.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid?

The IUPAC name of (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid (CID 175845234) is (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid.

What is the SMILES notation for (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid?

The canonical SMILES for (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid is CC(O)C(=O)O.C[C@H](C(=O)NCc1ccccc1F)N1C(=O)CC(N(C)C)C1=O.

What is the InChIKey of (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid?

The InChIKey is XCDDMZIKRUSAMS-HXOUFFEYSA-N. The full InChI is InChI=1S/C16H20FN3O3.C3H6O3/c1-10(20-14(21)8-13(16(20)23)19(2)3)15(22)18-9-11-6-4-5-7-12(11)17;1-2(4)3(5)6/h4-7,10,13H,8-9H2,1-3H3,(H,18,22);2,4H,1H3,(H,5,6)/t10-,13?;/m1./s1.

What are the key properties of (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid?

(2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid has a molecular weight of 411.43 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid is sourced from PubChem (CID 175845234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).