2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid

C14H15NO4 — CID 2976163

IUPAC2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid
SMILESCC(c1ccccc1)C1CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C14H15NO4/c1-9(10-5-3-2-4-6-10)11-7-12(16)15(14(11)19)8-13(17)18/h2-6,9,11H,7-8H2,1H3,(H,17,18)
InChIKeyBYWYICLTMSHRNI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds4

About 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid

2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 2976163) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid
PubChem CID2976163
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid
SMILESCC(c1ccccc1)C1CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C14H15NO4/c1-9(10-5-3-2-4-6-10)11-7-12(16)15(14(11)19)8-13(17)18/h2-6,9,11H,7-8H2,1H3,(H,17,18)
InChIKeyBYWYICLTMSHRNI-UHFFFAOYSA-N
XLogP1.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid (CID 2976163) is 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid is CC(c1ccccc1)C1CC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is BYWYICLTMSHRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(10-5-3-2-4-6-10)11-7-12(16)15(14(11)19)8-13(17)18/h2-6,9,11H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid?
2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 2976163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).