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

C12H13Cl2NO2 — CID 64617121

IUPAC2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H13Cl2NO2/c13-10-2-1-8(3-11(10)14)5-15-6-9(7-15)4-12(16)17/h1-3,9H,4-7H2,(H,16,17)
InChIKeyOGUNWSQRGXIDLI-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.90
Rot. Bonds4

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

2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid (PubChem CID 64617121) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid
PubChem CID64617121
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H13Cl2NO2/c13-10-2-1-8(3-11(10)14)5-15-6-9(7-15)4-12(16)17/h1-3,9H,4-7H2,(H,16,17)
InChIKeyOGUNWSQRGXIDLI-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic 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

2-[1-[(4-methylsulfanylphenyl)methyl]azetidin-3-yl]acetic acid
CID 64618526
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 64615889
2-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64616505
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
CID 79978496
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 65069785
2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618221
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
2-[1-[(3-cyano-4-methoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 65341123
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069288
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid (CID 64617121) is 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is OGUNWSQRGXIDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-10-2-1-8(3-11(10)14)5-15-6-9(7-15)4-12(16)17/h1-3,9H,4-7H2,(H,16,17).
What are the key properties of 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 274.15 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).