(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid

C17H17NO2 — CID 162471093

IUPAC(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20)16-12-18(14-9-5-2-6-10-14)11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,19,20)/t15-,16+/m0/s1
InChIKeyKRCIQCMLHPKHLR-JKSUJKDBSA-N
MW267.33 g/mol
LogP2.99
Rot. Bonds3

About (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid

(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid (PubChem CID 162471093) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
PubChem CID162471093
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20)16-12-18(14-9-5-2-6-10-14)11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,19,20)/t15-,16+/m0/s1
InChIKeyKRCIQCMLHPKHLR-JKSUJKDBSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(oxan-4-yloxy)phenyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 175367153
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130
(3S,4R)-1-(5-chloro-1,3,4-thiadiazol-2-yl)-4-phenylpyrrolidine-3-carboxylic acid
CID 167949293
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3R,4S)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166790395
(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone
CID 1481125
(3R,4S)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 166790458
(3S,4R)-1-(oxan-4-yl)-4-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 162470985
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 11875067
(3S,4S)-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 167966048

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid (CID 162471093) is (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid?
The InChIKey is KRCIQCMLHPKHLR-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)16-12-18(14-9-5-2-6-10-14)11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid?
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 162471093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).