(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride

C21H24ClNO2 — CID 11717409

IUPAC(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2.ClH/c23-21(24)20-14-8-16-22(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-13,20H,7-8,14-16H2,(H,23,24);1H/t20-;/m1./s1
InChIKeyKLAMBPASJOYHOM-VEIFNGETSA-N
MW357.88 g/mol
LogP4.48
Rot. Bonds6

About (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride

(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 11717409) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID11717409
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2.ClH/c23-21(24)20-14-8-16-22(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-13,20H,7-8,14-16H2,(H,23,24);1H/t20-;/m1./s1
InChIKeyKLAMBPASJOYHOM-VEIFNGETSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-1-(4,4-diphenylbut-3-enyl)azetidine-2-carboxylate
CID 59941159
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 175401357
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119913957
1-[(E)-4-(3-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 171377159
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
1-[2-(2-chloro-6-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750840

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 11717409) is (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is KLAMBPASJOYHOM-VEIFNGETSA-N. The full InChI is InChI=1S/C21H23NO2.ClH/c23-21(24)20-14-8-16-22(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-13,20H,7-8,14-16H2,(H,23,24);1H/t20-;/m1./s1.
What are the key properties of (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 11717409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).