(2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid

C11H13NO4S — CID 11834595

IUPAC(2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-7-6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyPCZMDMOEFYSSGY-SNVBAGLBSA-N
MW255.29 g/mol
LogP0.84
Rot. Bonds3

About (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid

(2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid (PubChem CID 11834595) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid
PubChem CID11834595
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name(2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-7-6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyPCZMDMOEFYSSGY-SNVBAGLBSA-N
XLogP0.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid (CID 11834595) is (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid is Cc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid?
The InChIKey is PCZMDMOEFYSSGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-7-6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid?
(2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid is sourced from PubChem (CID 11834595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).