4-methyl-4-phenylpyrrolidine-3-carboxylic acid

C12H15NO2 — CID 63940767

IUPAC4-methyl-4-phenylpyrrolidine-3-carboxylic acid
SMILESCC1(c2ccccc2)CNCC1C(=O)O
InChIInChI=1S/C12H15NO2/c1-12(9-5-3-2-4-6-9)8-13-7-10(12)11(14)15/h2-6,10,13H,7-8H2,1H3,(H,14,15)
InChIKeyAJUPVXGJXQRKQD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.25
Rot. Bonds2

About 4-methyl-4-phenylpyrrolidine-3-carboxylic acid

4-methyl-4-phenylpyrrolidine-3-carboxylic acid (PubChem CID 63940767) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methyl-4-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4-phenylpyrrolidine-3-carboxylic acid
PubChem CID63940767
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-methyl-4-phenylpyrrolidine-3-carboxylic acid
SMILESCC1(c2ccccc2)CNCC1C(=O)O
InChIInChI=1S/C12H15NO2/c1-12(9-5-3-2-4-6-9)8-13-7-10(12)11(14)15/h2-6,10,13H,7-8H2,1H3,(H,14,15)
InChIKeyAJUPVXGJXQRKQD-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-4-phenylpyrrolidine-3-carboxylic acid (CID 63940767) is 4-methyl-4-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-4-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-4-phenylpyrrolidine-3-carboxylic acid is CC1(c2ccccc2)CNCC1C(=O)O.
What is the InChIKey of 4-methyl-4-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is AJUPVXGJXQRKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(9-5-3-2-4-6-9)8-13-7-10(12)11(14)15/h2-6,10,13H,7-8H2,1H3,(H,14,15).
What are the key properties of 4-methyl-4-phenylpyrrolidine-3-carboxylic acid?
4-methyl-4-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63940767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).