2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid

C10H12N2O6S — CID 43712925

IUPAC2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
SMILESNC(=O)COc1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H12N2O6S/c11-9(13)5-18-8-3-1-2-7(4-8)12-19(16,17)6-10(14)15/h1-4,12H,5-6H2,(H2,11,13)(H,14,15)
InChIKeyIODZJPOYJUGMFP-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.62
Rot. Bonds7

About 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid

2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid (PubChem CID 43712925) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
PubChem CID43712925
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
SMILESNC(=O)COc1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H12N2O6S/c11-9(13)5-18-8-3-1-2-7(4-8)12-19(16,17)6-10(14)15/h1-4,12H,5-6H2,(H2,11,13)(H,14,15)
InChIKeyIODZJPOYJUGMFP-UHFFFAOYSA-N
XLogP-0.62
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308
2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
CID 54867388
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735
2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
CID 63000197
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate
CID 82833635
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid (CID 43712925) is 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid is NC(=O)COc1cccc(NS(=O)(=O)CC(=O)O)c1.
What is the InChIKey of 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid?
The InChIKey is IODZJPOYJUGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c11-9(13)5-18-8-3-1-2-7(4-8)12-19(16,17)6-10(14)15/h1-4,12H,5-6H2,(H2,11,13)(H,14,15).
What are the key properties of 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid?
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid has a molecular weight of 288.28 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43712925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).