1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid

C15H20N2O3 — CID 119356104

IUPAC1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(C)c1NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-5-3-6-11(2)14(10)16-9-13(18)17-8-4-7-12(17)15(19)20/h3,5-6,12,16H,4,7-9H2,1-2H3,(H,19,20)
InChIKeyFVUTXMDRYNPXQA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.79
Rot. Bonds4

About 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356104) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119356104
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(C)c1NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-5-3-6-11(2)14(10)16-9-13(18)17-8-4-7-12(17)15(19)20/h3,5-6,12,16H,4,7-9H2,1-2H3,(H,19,20)
InChIKeyFVUTXMDRYNPXQA-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-methylanilino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356114
1-[2-(2-methoxyanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356018
1-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 84566512
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methylphenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 22717245
(2S)-1-(2-anilinoacetyl)azetidine-2-carboxylic acid
CID 22958472
(2S)-1-[2-[2-(benzenesulfonyl)anilino]acetyl]pyrrolidine-2-carboxylic acid
CID 70359636
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid (CID 119356104) is 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid is Cc1cccc(C)c1NCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FVUTXMDRYNPXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-3-6-11(2)14(10)16-9-13(18)17-8-4-7-12(17)15(19)20/h3,5-6,12,16H,4,7-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).