1-benzoylpyrrolidine-3-carboxylic acid

C12H13NO3 — CID 14130223

IUPAC1-benzoylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C12H13NO3/c14-11(9-4-2-1-3-5-9)13-7-6-10(8-13)12(15)16/h1-5,10H,6-8H2,(H,15,16)
InChIKeyGCFZAZFRGJPWMV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.23
Rot. Bonds2

About 1-benzoylpyrrolidine-3-carboxylic acid

1-benzoylpyrrolidine-3-carboxylic acid (PubChem CID 14130223) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-benzoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzoylpyrrolidine-3-carboxylic acid
PubChem CID14130223
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-benzoylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C12H13NO3/c14-11(9-4-2-1-3-5-9)13-7-6-10(8-13)12(15)16/h1-5,10H,6-8H2,(H,15,16)
InChIKeyGCFZAZFRGJPWMV-UHFFFAOYSA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-benzoylpyrrolidine-3-carboxylic acid (CID 14130223) is 1-benzoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-benzoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-benzoylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoylpyrrolidine-3-carboxylic acid?
The InChIKey is GCFZAZFRGJPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11(9-4-2-1-3-5-9)13-7-6-10(8-13)12(15)16/h1-5,10H,6-8H2,(H,15,16).
What are the key properties of 1-benzoylpyrrolidine-3-carboxylic acid?
1-benzoylpyrrolidine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 14130223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).