1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid

C22H24N2O4 — CID 119256449

IUPAC1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-22(21(27)28)12-13-24(15-22)20(26)18(14-16-8-4-2-5-9-16)23-19(25)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,25)(H,27,28)
InChIKeyURCHCVAGNLFSLC-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.35
Rot. Bonds6

About 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256449) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256449
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-22(21(27)28)12-13-24(15-22)20(26)18(14-16-8-4-2-5-9-16)23-19(25)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,25)(H,27,28)
InChIKeyURCHCVAGNLFSLC-UHFFFAOYSA-N
XLogP2.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256100
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 120810441
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55564516
1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
CID 63134188
(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
1-(3,4-diphenylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257616
N-[1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56572676
N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 166217047

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 119256449) is 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)C1.
What is the InChIKey of 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is URCHCVAGNLFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(21(27)28)12-13-24(15-22)20(26)18(14-16-8-4-2-5-9-16)23-19(25)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,25)(H,27,28).
What are the key properties of 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).