5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid

C12H13NO4 — CID 71332208

IUPAC5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(OCc2ccccc2)C1
InChIInChI=1S/C12H13NO4/c14-11-6-10(12(15)16)7-13(11)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChIKeyWDFHLEMSQSCONQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.05
Rot. Bonds4

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

5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid (PubChem CID 71332208) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid
PubChem CID71332208
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(OCc2ccccc2)C1
InChIInChI=1S/C12H13NO4/c14-11-6-10(12(15)16)7-13(11)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChIKeyWDFHLEMSQSCONQ-UHFFFAOYSA-N
XLogP1.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid (CID 71332208) is 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(OCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid?
The InChIKey is WDFHLEMSQSCONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11-6-10(12(15)16)7-13(11)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16).
What are the key properties of 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid?
5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid is sourced from PubChem (CID 71332208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).