(2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid

C11H12ClNO2 — CID 20637831

IUPAC(2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c12-9-3-1-8(2-4-9)7-13-6-5-10(13)11(14)15/h1-4,10H,5-7H2,(H,14,15)/t10-/m1/s1
InChIKeyQXIGIBURNAFTET-SNVBAGLBSA-N
MW225.68 g/mol
LogP2.00
Rot. Bonds3

About (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid

(2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid (PubChem CID 20637831) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid
PubChem CID20637831
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c12-9-3-1-8(2-4-9)7-13-6-5-10(13)11(14)15/h1-4,10H,5-7H2,(H,14,15)/t10-/m1/s1
InChIKeyQXIGIBURNAFTET-SNVBAGLBSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid (CID 20637831) is (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid is O=C(O)[C@H]1CCN1Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid?
The InChIKey is QXIGIBURNAFTET-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-3-1-8(2-4-9)7-13-6-5-10(13)11(14)15/h1-4,10H,5-7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid?
(2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid has a molecular weight of 225.68 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 20637831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).