2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid

C12H11Cl2NO4 — CID 149109994

IUPAC2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OC1CC(c2cc(Cl)cc(Cl)c2)CN1
InChIInChI=1S/C12H11Cl2NO4/c13-8-1-6(2-9(14)4-8)7-3-10(15-5-7)19-12(18)11(16)17/h1-2,4,7,10,15H,3,5H2,(H,16,17)
InChIKeyQWRNZCGAJANSJL-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.02
Rot. Bonds2

About 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid

2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid (PubChem CID 149109994) has the molecular formula C12H11Cl2NO4 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid
PubChem CID149109994
Molecular FormulaC12H11Cl2NO4
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OC1CC(c2cc(Cl)cc(Cl)c2)CN1
InChIInChI=1S/C12H11Cl2NO4/c13-8-1-6(2-9(14)4-8)7-3-10(15-5-7)19-12(18)11(16)17/h1-2,4,7,10,15H,3,5H2,(H,16,17)
InChIKeyQWRNZCGAJANSJL-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,5-Dichlorophenyl)pyrrolidine oxalate
CID 66811047
[4-(3,5-Dichlorophenyl)pyrrolidin-2-yl] 2-oxopropanoate
CID 90958841
2-[4-(3-Chloro-5-ethylphenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid
CID 91275230

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid (CID 149109994) is 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid is O=C(O)C(=O)OC1CC(c2cc(Cl)cc(Cl)c2)CN1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid?
The InChIKey is QWRNZCGAJANSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO4/c13-8-1-6(2-9(14)4-8)7-3-10(15-5-7)19-12(18)11(16)17/h1-2,4,7,10,15H,3,5H2,(H,16,17).
What are the key properties of 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid?
2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid has a molecular weight of 304.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)pyrrolidin-2-yl]oxy-2-oxoacetic acid is sourced from PubChem (CID 149109994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).