(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid

C19H21NO2 — CID 34180361

IUPAC(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-18(22)19(13-16-7-3-1-4-8-16)11-12-20(15-19)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,22)/t19-/m1/s1
InChIKeyVOYCWYOWHDJCEV-LJQANCHMSA-N
MW295.38 g/mol
LogP3.21
Rot. Bonds5

About (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid

(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid (PubChem CID 34180361) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
PubChem CID34180361
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-18(22)19(13-16-7-3-1-4-8-16)11-12-20(15-19)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,22)/t19-/m1/s1
InChIKeyVOYCWYOWHDJCEV-LJQANCHMSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
2-bromo-1-(1,4-dibenzylpiperidin-4-yl)ethanone bromide
CID 19705341
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-benzylcyclopropane-1-carboxylic acid
CID 562561
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
1,3-dibenzyl-N-[(3,5-dimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 71726690
hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 143488487
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid (CID 34180361) is (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid is O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid?
The InChIKey is VOYCWYOWHDJCEV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(22)19(13-16-7-3-1-4-8-16)11-12-20(15-19)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,22)/t19-/m1/s1.
What are the key properties of (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid?
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 34180361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).