3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid

C10H11NO7S — CID 150735824

IUPAC3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid
SMILESCOc1ccc(S(=O)(=O)NOC(=O)CC(=O)O)cc1
InChIInChI=1S/C10H11NO7S/c1-17-7-2-4-8(5-3-7)19(15,16)11-18-10(14)6-9(12)13/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyJSUOCXLXIJHDKE-UHFFFAOYSA-N
MW289.27 g/mol
LogP-0.09
Rot. Bonds6

About 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid

3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid (PubChem CID 150735824) has the molecular formula C10H11NO7S and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid
PubChem CID150735824
Molecular FormulaC10H11NO7S
Molecular Weight289.27 g/mol
Exact Mass289.03
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid
SMILESCOc1ccc(S(=O)(=O)NOC(=O)CC(=O)O)cc1
InChIInChI=1S/C10H11NO7S/c1-17-7-2-4-8(5-3-7)19(15,16)11-18-10(14)6-9(12)13/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyJSUOCXLXIJHDKE-UHFFFAOYSA-N
XLogP-0.09
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
6-[(4-methoxyphenyl)sulfonylamino]-4-oxohexanoic acid
CID 18725228
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683360
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 70941084
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
[(3-methoxyphenyl)sulfonylamino] butanoate
CID 90797879
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid (CID 150735824) is 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid is COc1ccc(S(=O)(=O)NOC(=O)CC(=O)O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid?
The InChIKey is JSUOCXLXIJHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO7S/c1-17-7-2-4-8(5-3-7)19(15,16)11-18-10(14)6-9(12)13/h2-5,11H,6H2,1H3,(H,12,13).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid?
3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid has a molecular weight of 289.27 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid is sourced from PubChem (CID 150735824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).