(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid

C15H17Cl2NO4 — CID 154133017

IUPAC(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid
SMILESCCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C15H17Cl2NO4/c1-2-5-15(7-10(19)8-18(15)14(21)22)13(20)9-3-4-11(16)12(17)6-9/h3-4,6,10,19H,2,5,7-8H2,1H3,(H,21,22)/t10-,15-/m1/s1
InChIKeyYEZIHTUXQZAIOD-MEBBXXQBSA-N
MW346.21 g/mol
LogP3.46
Rot. Bonds4

About (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid

(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid (PubChem CID 154133017) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid
PubChem CID154133017
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid
SMILESCCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C15H17Cl2NO4/c1-2-5-15(7-10(19)8-18(15)14(21)22)13(20)9-3-4-11(16)12(17)6-9/h3-4,6,10,19H,2,5,7-8H2,1H3,(H,21,22)/t10-,15-/m1/s1
InChIKeyYEZIHTUXQZAIOD-MEBBXXQBSA-N
XLogP3.46
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-[(5S)-3-propyl-8-azabicyclo[3.2.1]octan-3-yl]methanone
CID 71095335
(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone
CID 58017268
(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
CID 66687178
1-(3,4-dichlorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83076119
1-(3-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977027
2-[(3,4-dichlorophenyl)-hydroxymethyl]-2-propylazetidine-1-carboxylic acid
CID 154129214
(3,4-dichlorophenyl)-[(1R,2S,5R)-2-propyl-8-azabicyclo[3.2.1]octan-2-yl]methanone
CID 66687512
2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 142723038
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid (CID 154133017) is (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid is CCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid?
The InChIKey is YEZIHTUXQZAIOD-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-2-5-15(7-10(19)8-18(15)14(21)22)13(20)9-3-4-11(16)12(17)6-9/h3-4,6,10,19H,2,5,7-8H2,1H3,(H,21,22)/t10-,15-/m1/s1.
What are the key properties of (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid?
(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid has a molecular weight of 346.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154133017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).