2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid

C15H19NO6S — CID 120686845

IUPAC2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H19NO6S/c1-22-12-5-4-10(23(2,20)21)8-11(12)14(19)16-15(6-3-7-15)9-13(17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOUTFHKIFJWDFIX-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.23
Rot. Bonds6

About 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 120686845) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
PubChem CID120686845
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Name2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H19NO6S/c1-22-12-5-4-10(23(2,20)21)8-11(12)14(19)16-15(6-3-7-15)9-13(17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOUTFHKIFJWDFIX-UHFFFAOYSA-N
XLogP1.23
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120684633
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
1-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120690142
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
3-ethoxy-1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700548
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
CID 91835801
N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
CID 62518781
2-[1-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]cyclobutyl]acetic acid
CID 79843985
2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
CID 119217146
2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 120686652

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid (CID 120686845) is 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid is COc1ccc(S(C)(=O)=O)cc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is OUTFHKIFJWDFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-22-12-5-4-10(23(2,20)21)8-11(12)14(19)16-15(6-3-7-15)9-13(17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 341.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120686845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).