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

C19H21NO2 — CID 122036442

IUPAC1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1-c1cccc(CN2CCCC2C(=O)O)c1
InChIInChI=1S/C19H21NO2/c1-14-6-2-3-9-17(14)16-8-4-7-15(12-16)13-20-11-5-10-18(20)19(21)22/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,21,22)
InChIKeyKVEBGORASFHWTR-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds4

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

1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122036442) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID122036442
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1-c1cccc(CN2CCCC2C(=O)O)c1
InChIInChI=1S/C19H21NO2/c1-14-6-2-3-9-17(14)16-8-4-7-15(12-16)13-20-11-5-10-18(20)19(21)22/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,21,22)
InChIKeyKVEBGORASFHWTR-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036450
6-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122124445
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
1-[[3-[4-(2-carboxypropyl)phenyl]phenyl]methyl]piperidine-2-carboxylic acid
CID 142053504
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
(2S)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910755
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
(2S)-1-[[2-(2-methyl-3-phenylphenyl)-1,3-benzoxazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 129137982
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134799026
1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid
CID 142847935

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 122036442) is 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid is Cc1ccccc1-c1cccc(CN2CCCC2C(=O)O)c1.
What is the InChIKey of 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KVEBGORASFHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-6-2-3-9-17(14)16-8-4-7-15(12-16)13-20-11-5-10-18(20)19(21)22/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,21,22).
What are the key properties of 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122036442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).