2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid

C15H19NO6S — CID 125134078

IUPAC2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C15H19NO6S/c1-10-3-4-12(23(2,20)21)8-13(10)15(19)16-5-6-22-11(9-16)7-14(17)18/h3-4,8,11H,5-7,9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXJBLGROSTTYPCX-LLVKDONJSA-N
MW341.39 g/mol
LogP0.71
Rot. Bonds4

About 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 125134078) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID125134078
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Name2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C15H19NO6S/c1-10-3-4-12(23(2,20)21)8-13(10)15(19)16-5-6-22-11(9-16)7-14(17)18/h3-4,8,11H,5-7,9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXJBLGROSTTYPCX-LLVKDONJSA-N
XLogP0.71
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid
CID 119248737
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
(3-hydroxypyrrolidin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 62918281
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid (CID 125134078) is 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid is Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCO[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is XJBLGROSTTYPCX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-10-3-4-12(23(2,20)21)8-13(10)15(19)16-5-6-22-11(9-16)7-14(17)18/h3-4,8,11H,5-7,9H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 341.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 125134078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).