propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate

C19H23ClN2O5 — CID 24554392

IUPACpropan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCN1C(=O)CCC1=O)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O5/c1-12(2)27-19(26)11-15(13-5-3-4-6-14(13)20)21-16(23)9-10-22-17(24)7-8-18(22)25/h3-6,12,15H,7-11H2,1-2H3,(H,21,23)
InChIKeySLAZVUZDWBAIQS-UHFFFAOYSA-N
MW394.86 g/mol
LogP2.38
Rot. Bonds8

About propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate

propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate (PubChem CID 24554392) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate
PubChem CID24554392
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Namepropan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCN1C(=O)CCC1=O)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O5/c1-12(2)27-19(26)11-15(13-5-3-4-6-14(13)20)21-16(23)9-10-22-17(24)7-8-18(22)25/h3-6,12,15H,7-11H2,1-2H3,(H,21,23)
InChIKeySLAZVUZDWBAIQS-UHFFFAOYSA-N
XLogP2.38
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate?
The IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate (CID 24554392) is propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate?
The canonical SMILES for propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate is CC(C)OC(=O)CC(NC(=O)CCN1C(=O)CCC1=O)c1ccccc1Cl.
What is the InChIKey of propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate?
The InChIKey is SLAZVUZDWBAIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5/c1-12(2)27-19(26)11-15(13-5-3-4-6-14(13)20)21-16(23)9-10-22-17(24)7-8-18(22)25/h3-6,12,15H,7-11H2,1-2H3,(H,21,23).
What are the key properties of propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate?
propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate has a molecular weight of 394.86 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-chlorophenyl)-3-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]propanoate is sourced from PubChem (CID 24554392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).