(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride

C11H13Cl2NO2 — CID 17389651

IUPAC(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCNC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2.ClH/c12-8-3-1-7(2-4-8)10-9(11(14)15)5-6-13-10;/h1-4,9-10,13H,5-6H2,(H,14,15);1H/t9-,10?;/m0./s1
InChIKeyYXXARJLWAHSSHL-KKFCBZOWSA-N
MW262.14 g/mol
LogP2.50
Rot. Bonds2

About (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride

(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 17389651) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID17389651
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCNC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2.ClH/c12-8-3-1-7(2-4-8)10-9(11(14)15)5-6-13-10;/h1-4,9-10,13H,5-6H2,(H,14,15);1H/t9-,10?;/m0./s1
InChIKeyYXXARJLWAHSSHL-KKFCBZOWSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 7141550
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 17389652
methyl (2S,3R)-2-(4-chlorophenyl)pyrrolidine-3-carboxylate
CID 11207186
2-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 82363541
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979
2-[(4-chlorophenoxy)methyl]pyrrolidine-3-carboxylic acid
CID 82363503
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
methyl (2R,3R)-2-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate
CID 51432981
(2S,3S)-2-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 82392927
2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid
CID 83918785

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 17389651) is (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CCNC1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is YXXARJLWAHSSHL-KKFCBZOWSA-N. The full InChI is InChI=1S/C11H12ClNO2.ClH/c12-8-3-1-7(2-4-8)10-9(11(14)15)5-6-13-10;/h1-4,9-10,13H,5-6H2,(H,14,15);1H/t9-,10?;/m0./s1.
What are the key properties of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 262.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 17389651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).