1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid

C15H19FN2O3 — CID 102785896

IUPAC1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CCC(=O)Nc2ccccc2F)C1C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-6-8-18(14(10)15(20)21)9-7-13(19)17-12-5-3-2-4-11(12)16/h2-5,10,14H,6-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyLHQNVNGCAMQLON-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.95
Rot. Bonds5

About 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid

1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102785896) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102785896
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CCC(=O)Nc2ccccc2F)C1C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-6-8-18(14(10)15(20)21)9-7-13(19)17-12-5-3-2-4-11(12)16/h2-5,10,14H,6-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyLHQNVNGCAMQLON-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2-fluorophenyl)-3-(5-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propanamide
CID 154745944
N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654769
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate
CID 124614909
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
1-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785249
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102785896) is 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(CCC(=O)Nc2ccccc2F)C1C(=O)O.
What is the InChIKey of 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is LHQNVNGCAMQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-6-8-18(14(10)15(20)21)9-7-13(19)17-12-5-3-2-4-11(12)16/h2-5,10,14H,6-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).