1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid

C15H20N2O3 — CID 63148218

IUPAC1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-15(14(19)20)8-10-17(11-15)9-7-13(18)16-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyBYVBGCWHHILVDO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.81
Rot. Bonds5

About 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63148218) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63148218
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-15(14(19)20)8-10-17(11-15)9-7-13(18)16-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyBYVBGCWHHILVDO-UHFFFAOYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 91839342
N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103356209
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
3-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 126830524
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63148218) is 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(CCC(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BYVBGCWHHILVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(14(19)20)8-10-17(11-15)9-7-13(18)16-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).