1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid

C11H10ClNO4 — CID 82482397

IUPAC1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)C2=O)cc1Cl
InChIInChI=1S/C11H10ClNO4/c1-17-9-3-2-6(4-8(9)12)13-5-7(10(13)14)11(15)16/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyCIACCIZCOVJLCS-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.40
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid

1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid (PubChem CID 82482397) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid
PubChem CID82482397
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)C2=O)cc1Cl
InChIInChI=1S/C11H10ClNO4/c1-17-9-3-2-6(4-8(9)12)13-5-7(10(13)14)11(15)16/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyCIACCIZCOVJLCS-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic 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

1-(4-methoxy-3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 54964622
3-[(3-chloro-2-methylsulfanylphenyl)methyl]-1-(3,4-dimethoxyphenyl)-2,4-dioxo-1,3-diazinane-5-carboxylic acid
CID 138752949
1-(3-bromo-4-methylphenyl)-2-oxoazetidine-3-carboxylic acid
CID 82489526
1-(3-chloro-4-methoxyphenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 117022263
1-(3-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
CID 112724158
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
1-(4-methoxy-3-nitrophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367417
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
CID 110328345
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(1,3-benzodioxol-5-yl)-2-oxoazetidine-3-carboxylic acid
CID 82476080
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid (CID 82482397) is 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid is COc1ccc(N2CC(C(=O)O)C2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid?
The InChIKey is CIACCIZCOVJLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c1-17-9-3-2-6(4-8(9)12)13-5-7(10(13)14)11(15)16/h2-4,7H,5H2,1H3,(H,15,16).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid?
1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid has a molecular weight of 255.66 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-oxoazetidine-3-carboxylic acid is sourced from PubChem (CID 82482397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).