(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride

C11H12Cl3NO2 — CID 56972019

IUPAC(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CNC[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO2.ClH/c12-9-3-1-2-6(10(9)13)7-4-14-5-8(7)11(15)16;/h1-3,7-8,14H,4-5H2,(H,15,16);1H/t7-,8+;/m1./s1
InChIKeyGQVOOINHJKKVGO-WLYNEOFISA-N
MW296.58 g/mol
LogP2.80
Rot. Bonds2

About (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride

(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 56972019) has the molecular formula C11H12Cl3NO2 and a molecular weight of 296.58 g/mol. Its IUPAC name is (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID56972019
Molecular FormulaC11H12Cl3NO2
Molecular Weight296.58 g/mol
Exact Mass294.99
IUPAC Name(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CNC[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO2.ClH/c12-9-3-1-2-6(10(9)13)7-4-14-5-8(7)11(15)16;/h1-3,7-8,14H,4-5H2,(H,15,16);1H/t7-,8+;/m1./s1
InChIKeyGQVOOINHJKKVGO-WLYNEOFISA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.58
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 56972019) is (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CNC[C@@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is GQVOOINHJKKVGO-WLYNEOFISA-N. The full InChI is InChI=1S/C11H11Cl2NO2.ClH/c12-9-3-1-2-6(10(9)13)7-4-14-5-8(7)11(15)16;/h1-3,7-8,14H,4-5H2,(H,15,16);1H/t7-,8+;/m1./s1.
What are the key properties of (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 296.58 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 56972019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).