1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid

C21H25NO2 — CID 122036313

IUPAC1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c23-21(24)20-11-12-22(16-20)15-19(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,24)
InChIKeyJFJDBEYHJRTIHQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.49
Rot. Bonds7

About 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid

1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid (PubChem CID 122036313) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
PubChem CID122036313
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c23-21(24)20-11-12-22(16-20)15-19(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,24)
InChIKeyJFJDBEYHJRTIHQ-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 119038675
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904711
1-[[3-(difluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 115529626
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
CID 57486049
3-benzyl-1-cyclopropylpentan-1-one
CID 142258959

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid (CID 122036313) is 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CC(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JFJDBEYHJRTIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(24)20-11-12-22(16-20)15-19(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,24).
What are the key properties of 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid?
1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 323.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122036313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).