4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid

C10H17NO7S — CID 115291951

IUPAC4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H17NO7S/c1-17-8(12)2-7-19(15,16)11-10(9(13)14)3-5-18-6-4-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyJWQICWWCMSKLHD-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.90
Rot. Bonds6

About 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid

4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid (PubChem CID 115291951) has the molecular formula C10H17NO7S and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
PubChem CID115291951
Molecular FormulaC10H17NO7S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC Name4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H17NO7S/c1-17-8(12)2-7-19(15,16)11-10(9(13)14)3-5-18-6-4-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyJWQICWWCMSKLHD-UHFFFAOYSA-N
XLogP-0.90
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291944
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
CID 114991085
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
CID 103848177
4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
CID 114462947
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid (CID 115291951) is 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid is COC(=O)CCS(=O)(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
The InChIKey is JWQICWWCMSKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO7S/c1-17-8(12)2-7-19(15,16)11-10(9(13)14)3-5-18-6-4-10/h11H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).