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

C10H17NO6S — CID 113309110

IUPAC1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C10H17NO6S/c1-17-8(12)6-18(15,16)11-7-10(9(13)14)4-2-3-5-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyHYUDXMCWUGUYTL-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.28
Rot. Bonds6

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

1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309110) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309110
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C10H17NO6S/c1-17-8(12)6-18(15,16)11-7-10(9(13)14)4-2-3-5-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyHYUDXMCWUGUYTL-UHFFFAOYSA-N
XLogP-0.28
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-[(methoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 23530558
1-[[(2-methoxy-2-oxoethyl)carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444671
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (CID 113309110) is 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is COC(=O)CS(=O)(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HYUDXMCWUGUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-17-8(12)6-18(15,16)11-7-10(9(13)14)4-2-3-5-10/h11H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of -0.28, 6 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]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).