1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid

C11H11Cl2NO2 — CID 154747262

IUPAC1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO2/c12-8-3-1-2-7(10(8)13)6-14-5-4-9(14)11(15)16/h1-3,9H,4-6H2,(H,15,16)
InChIKeyMSNSUMFZGFFZKY-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.65
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid

1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid (PubChem CID 154747262) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid
PubChem CID154747262
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO2/c12-8-3-1-2-7(10(8)13)6-14-5-4-9(14)11(15)16/h1-3,9H,4-6H2,(H,15,16)
InChIKeyMSNSUMFZGFFZKY-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
2-(3-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 3572049
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
1-[(2-chloro-4-methylphenyl)methyl]azepane-2-carboxylic acid
CID 106865263
1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
CID 66634297
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid (CID 154747262) is 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid is O=C(O)C1CCN1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid?
The InChIKey is MSNSUMFZGFFZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-8-3-1-2-7(10(8)13)6-14-5-4-9(14)11(15)16/h1-3,9H,4-6H2,(H,15,16).
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid?
1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid has a molecular weight of 260.12 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 154747262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).