1-methyl-2-phenylpyrrolidine-3-carboxylic acid

C12H15NO2 — CID 71778186

IUPAC1-methyl-2-phenylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-13-8-7-10(12(14)15)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,14,15)
InChIKeyXPSMPALUSCSMST-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.76
Rot. Bonds2

About 1-methyl-2-phenylpyrrolidine-3-carboxylic acid

1-methyl-2-phenylpyrrolidine-3-carboxylic acid (PubChem CID 71778186) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-methyl-2-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-phenylpyrrolidine-3-carboxylic acid
PubChem CID71778186
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-methyl-2-phenylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-13-8-7-10(12(14)15)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,14,15)
InChIKeyXPSMPALUSCSMST-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841819
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
ethane;methyl 1-methyl-2-phenylpiperidine-3-carboxylate
CID 91342907
(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
CID 178190208
2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841163
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
CID 71398204
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid
CID 53435681
(2S,3R)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-1-methyl-2-phenylpyrrolidine-3-carboxamide
CID 127266159

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-2-phenylpyrrolidine-3-carboxylic acid (CID 71778186) is 1-methyl-2-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-2-phenylpyrrolidine-3-carboxylic acid is CN1CCC(C(=O)O)C1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is XPSMPALUSCSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-8-7-10(12(14)15)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,14,15).
What are the key properties of 1-methyl-2-phenylpyrrolidine-3-carboxylic acid?
1-methyl-2-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 71778186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).