(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride

C18H20ClNO2 — CID 2761924

IUPAC(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@]1(C(c2ccccc2)c2ccccc2)CCCN1
InChIInChI=1S/C18H19NO2.ClH/c20-17(21)18(12-7-13-19-18)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,16,19H,7,12-13H2,(H,20,21);1H/t18-;/m1./s1
InChIKeyDZEQMVGYYDKOED-GMUIIQOCSA-N
MW317.82 g/mol
LogP3.45
Rot. Bonds4

About (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride

(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 2761924) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID2761924
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@]1(C(c2ccccc2)c2ccccc2)CCCN1
InChIInChI=1S/C18H19NO2.ClH/c20-17(21)18(12-7-13-19-18)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,16,19H,7,12-13H2,(H,20,21);1H/t18-;/m1./s1
InChIKeyDZEQMVGYYDKOED-GMUIIQOCSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 115103424
2-(phenylsulfanylmethyl)pyrrolidine-2-carboxylic acid
CID 141198596
(2R)-2-benzamidopyrrolidine-2-carboxylic acid
CID 70468963
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398103
2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide
CID 140530514
1-(2-phenylpyrrolidin-2-yl)ethanone
CID 91015511
2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398043
(2S)-2-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 70246259
1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid
CID 105479066
2-phenylpiperidin-2-ol
CID 173102945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride (CID 2761924) is (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@]1(C(c2ccccc2)c2ccccc2)CCCN1.
What is the InChIKey of (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is DZEQMVGYYDKOED-GMUIIQOCSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c20-17(21)18(12-7-13-19-18)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,16,19H,7,12-13H2,(H,20,21);1H/t18-;/m1./s1.
What are the key properties of (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2761924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).