5-oxo-1-phenylpyrrolidine-3-carboxylic acid

C11H11NO3 — CID 2737107

IUPAC5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C11H11NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKeyGHTSPNBSVDWGED-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.12
Rot. Bonds2

About 5-oxo-1-phenylpyrrolidine-3-carboxylic acid

5-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 2737107) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-oxo-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID2737107
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C11H11NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKeyGHTSPNBSVDWGED-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 2737107) is 5-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-phenylpyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is GHTSPNBSVDWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15).
What are the key properties of 5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
5-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2737107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).