2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid

C13H15Cl2NO2 — CID 65069288

IUPAC2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
SMILESCC(c1ccc(Cl)c(Cl)c1)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H15Cl2NO2/c1-8(10-2-3-11(14)12(15)5-10)16-6-9(7-16)4-13(17)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,17,18)
InChIKeyOQLSPYIOGGSPAH-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.46
Rot. Bonds4

About 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid

2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid (PubChem CID 65069288) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
PubChem CID65069288
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
SMILESCC(c1ccc(Cl)c(Cl)c1)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H15Cl2NO2/c1-8(10-2-3-11(14)12(15)5-10)16-6-9(7-16)4-13(17)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,17,18)
InChIKeyOQLSPYIOGGSPAH-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
2-[1-[1-(3,4-dichlorophenyl)ethyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071356
2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid
CID 64617121
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636
2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid
CID 114081581
2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618221
1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
3-amino-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321211
2-[1-[1-(5-bromo-2-fluorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 82973801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid (CID 65069288) is 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid is CC(c1ccc(Cl)c(Cl)c1)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid?
The InChIKey is OQLSPYIOGGSPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-8(10-2-3-11(14)12(15)5-10)16-6-9(7-16)4-13(17)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid?
2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid has a molecular weight of 288.17 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).