5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid

C15H19NO3 — CID 3918504

IUPAC5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)c1ccc(CN2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-10(2)12-5-3-11(4-6-12)8-16-9-13(15(18)19)7-14(16)17/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)
InChIKeyCGXHSNJLOXPVNF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds4

About 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 3918504) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID3918504
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)c1ccc(CN2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-10(2)12-5-3-11(4-6-12)8-16-9-13(15(18)19)7-14(16)17/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)
InChIKeyCGXHSNJLOXPVNF-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid (CID 3918504) is 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid is CC(C)c1ccc(CN2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CGXHSNJLOXPVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)12-5-3-11(4-6-12)8-16-9-13(15(18)19)7-14(16)17/h3-6,10,13H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3918504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).