(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride

C11H14ClNO2 — CID 70544231

IUPAC(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10+;/m1./s1
InChIKeyOPIDXEOJSLEQHK-UXQCFNEQSA-N
MW227.69 g/mol
LogP1.99
Rot. Bonds2

About (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 70544231) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID70544231
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10+;/m1./s1
InChIKeyOPIDXEOJSLEQHK-UXQCFNEQSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 54605167
(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577262
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510
5-(3-ethylphenyl)pyrrolidine-2-carboxylic acid
CID 112693420
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
5-(furan-3-yl)pyrrolidine-2-carboxylic acid
CID 55282588
tert-butyl (2S)-5-phenylpyrrolidine-2-carboxylate
CID 15837692
5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 112693433
5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693390

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride (CID 70544231) is (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CC[C@H](c2ccccc2)N1.
What is the InChIKey of (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is OPIDXEOJSLEQHK-UXQCFNEQSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10+;/m1./s1.
What are the key properties of (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70544231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).