(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C12H14Cl3NO2 — CID 2762015

IUPAC(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1
InChIInChI=1S/C12H13Cl2NO2.ClH/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7;/h1-2,5,7,11,15H,3-4,6H2,(H,16,17);1H/t7-,11+;/m1./s1
InChIKeyDODAZHGHYBWICW-YERNIVPCSA-N
MW310.61 g/mol
LogP3.02
Rot. Bonds3

About (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 2762015) has the molecular formula C12H14Cl3NO2 and a molecular weight of 310.61 g/mol. Its IUPAC name is (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID2762015
Molecular FormulaC12H14Cl3NO2
Molecular Weight310.61 g/mol
Exact Mass309.01
IUPAC Name(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1
InChIInChI=1S/C12H13Cl2NO2.ClH/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7;/h1-2,5,7,11,15H,3-4,6H2,(H,16,17);1H/t7-,11+;/m1./s1
InChIKeyDODAZHGHYBWICW-YERNIVPCSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 2762015) is (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1.
What is the InChIKey of (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is DODAZHGHYBWICW-YERNIVPCSA-N. The full InChI is InChI=1S/C12H13Cl2NO2.ClH/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7;/h1-2,5,7,11,15H,3-4,6H2,(H,16,17);1H/t7-,11+;/m1./s1.
What are the key properties of (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 310.61 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2762015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).