2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid

C14H19NO2 — CID 79371567

IUPAC2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1CN1CCC(C(=O)O)C1C
InChIInChI=1S/C14H19NO2/c1-10-5-3-4-6-12(10)9-15-8-7-13(11(15)2)14(16)17/h3-6,11,13H,7-9H2,1-2H3,(H,16,17)
InChIKeyYMSMEWDMQJJPJV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds3

About 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 79371567) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID79371567
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1CN1CCC(C(=O)O)C1C
InChIInChI=1S/C14H19NO2/c1-10-5-3-4-6-12(10)9-15-8-7-13(11(15)2)14(16)17/h3-6,11,13H,7-9H2,1-2H3,(H,16,17)
InChIKeyYMSMEWDMQJJPJV-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371953
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
1-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382615
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 114867000
1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372147
1-[(2-hydroxynaphthalen-1-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376597
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529748
(2R,3R)-2-methyl-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122115329
(2S,3S)-1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid (CID 79371567) is 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid is Cc1ccccc1CN1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YMSMEWDMQJJPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-3-4-6-12(10)9-15-8-7-13(11(15)2)14(16)17/h3-6,11,13H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).