5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid

C14H17NO3 — CID 53214367

IUPAC5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-8-15-12(16)9-11(14(17)18)13(15)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3,(H,17,18)
InChIKeyZRMONEDUYHHAAX-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.07
Rot. Bonds4

About 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid

5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid (PubChem CID 53214367) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid
PubChem CID53214367
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-8-15-12(16)9-11(14(17)18)13(15)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3,(H,17,18)
InChIKeyZRMONEDUYHHAAX-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid (CID 53214367) is 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid is CCCN1C(=O)CC(C(=O)O)C1c1ccccc1.
What is the InChIKey of 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid?
The InChIKey is ZRMONEDUYHHAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-8-15-12(16)9-11(14(17)18)13(15)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3,(H,17,18).
What are the key properties of 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid?
5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenyl-1-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 53214367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).