2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid

C20H19NO7 — CID 58928007

IUPAC2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid
SMILESCOC(=O)C(C(=O)OC)(c1ccccc1)N(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO7/c1-27-18(25)20(19(26)28-2,15-11-7-4-8-12-15)21(13-16(22)23)17(24)14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyFNVXTSUEIHMHCX-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.45
Rot. Bonds7

About 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid

2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid (PubChem CID 58928007) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid
PubChem CID58928007
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid
SMILESCOC(=O)C(C(=O)OC)(c1ccccc1)N(CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO7/c1-27-18(25)20(19(26)28-2,15-11-7-4-8-12-15)21(13-16(22)23)17(24)14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyFNVXTSUEIHMHCX-UHFFFAOYSA-N
XLogP1.45
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid?
The IUPAC name of 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid (CID 58928007) is 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid is COC(=O)C(C(=O)OC)(c1ccccc1)N(CC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid?
The InChIKey is FNVXTSUEIHMHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-27-18(25)20(19(26)28-2,15-11-7-4-8-12-15)21(13-16(22)23)17(24)14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,22,23).
What are the key properties of 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid?
2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid has a molecular weight of 385.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl-(1,3-dimethoxy-1,3-dioxo-2-phenylpropan-2-yl)amino]acetic acid is sourced from PubChem (CID 58928007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).