1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid

C16H22N2O3 — CID 102785701

IUPAC1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)CN2CCC(C)C2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-5-11(2)13(8-10)17-14(19)9-18-7-6-12(3)15(18)16(20)21/h4-5,8,12,15H,6-7,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyWPMRCTIKGOPDGA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.04
Rot. Bonds4

About 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid

1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102785701) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102785701
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)CN2CCC(C)C2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-5-11(2)13(8-10)17-14(19)9-18-7-6-12(3)15(18)16(20)21/h4-5,8,12,15H,6-7,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyWPMRCTIKGOPDGA-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784677
1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785249
1-[2-(4-bromoanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785737
1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786561
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,5-dimethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111107012
N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333425
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102785701) is 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid is Cc1ccc(C)c(NC(=O)CN2CCC(C)C2C(=O)O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is WPMRCTIKGOPDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-4-5-11(2)13(8-10)17-14(19)9-18-7-6-12(3)15(18)16(20)21/h4-5,8,12,15H,6-7,9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).