1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid

C15H19FN2O3 — CID 63719829

IUPAC1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)CN1CC(C)C(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-11(16)5-13(9)17-14(19)8-18-6-10(2)12(7-18)15(20)21/h3-5,10,12H,6-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyCXTOBOSTUULYIJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid

1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63719829) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63719829
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)CN1CC(C)C(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-11(16)5-13(9)17-14(19)8-18-6-10(2)12(7-18)15(20)21/h3-5,10,12H,6-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyCXTOBOSTUULYIJ-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721076
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441356
N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66209798
3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
2-(3,3-dimethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 21295689
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63719829) is 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid is Cc1ccc(F)cc1NC(=O)CN1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CXTOBOSTUULYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-3-4-11(16)5-13(9)17-14(19)8-18-6-10(2)12(7-18)15(20)21/h3-5,10,12H,6-8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).