1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid

C9H15NO6S — CID 61358172

IUPAC1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H15NO6S/c1-16-7(11)6-17(14,15)10-9(8(12)13)4-2-3-5-9/h10H,2-6H2,1H3,(H,12,13)
InChIKeyMJEZFGOKYWTMLF-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.52
Rot. Bonds5

About 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 61358172) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID61358172
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H15NO6S/c1-16-7(11)6-17(14,15)10-9(8(12)13)4-2-3-5-9/h10H,2-6H2,1H3,(H,12,13)
InChIKeyMJEZFGOKYWTMLF-UHFFFAOYSA-N
XLogP-0.52
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
CID 61358180
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 79673370

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 61358172) is 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid is COC(=O)CS(=O)(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is MJEZFGOKYWTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-16-7(11)6-17(14,15)10-9(8(12)13)4-2-3-5-9/h10H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61358172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).