2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid

C13H18N2O2 — CID 175376413

IUPAC2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)c1ccccc1C1CCCN1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-14(2)11-7-4-3-6-10(11)12-8-5-9-15(12)13(16)17/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyOVOFHMZKRAXAEB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.57
Rot. Bonds2

About 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid

2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid (PubChem CID 175376413) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid
PubChem CID175376413
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)c1ccccc1C1CCCN1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-14(2)11-7-4-3-6-10(11)12-8-5-9-15(12)13(16)17/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyOVOFHMZKRAXAEB-UHFFFAOYSA-N
XLogP2.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102542918
2-[(2S)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-(trideuteriomethyl)aniline
CID 159373633
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
2-[2-(2,3-dimethylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976383
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
4-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497807
1-adamantyl-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856249

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid (CID 175376413) is 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid is CN(C)c1ccccc1C1CCCN1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid?
The InChIKey is OVOFHMZKRAXAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(2)11-7-4-3-6-10(11)12-8-5-9-15(12)13(16)17/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid?
2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175376413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).