2-(2-methoxyethoxysulfamoyl)propanoic acid

C6H13NO6S — CID 82706100

IUPAC2-(2-methoxyethoxysulfamoyl)propanoic acid
SMILESCOCCONS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C6H13NO6S/c1-5(6(8)9)14(10,11)7-13-4-3-12-2/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyZANMSBAQHZOWAG-UHFFFAOYSA-N
MW227.24 g/mol
LogP-1.04
Rot. Bonds7

About 2-(2-methoxyethoxysulfamoyl)propanoic acid

2-(2-methoxyethoxysulfamoyl)propanoic acid (PubChem CID 82706100) has the molecular formula C6H13NO6S and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(2-methoxyethoxysulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxysulfamoyl)propanoic acid
PubChem CID82706100
Molecular FormulaC6H13NO6S
Molecular Weight227.24 g/mol
Exact Mass227.05
IUPAC Name2-(2-methoxyethoxysulfamoyl)propanoic acid
SMILESCOCCONS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C6H13NO6S/c1-5(6(8)9)14(10,11)7-13-4-3-12-2/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyZANMSBAQHZOWAG-UHFFFAOYSA-N
XLogP-1.04
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
N-(2-methoxyethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814915
N-(2-methoxyethoxy)ethanesulfonamide
CID 82714483
3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 114806743
2-(5-methylhexylsulfamoyl)propanoic acid
CID 115325022
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid
CID 61455040
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985
2-(pentan-3-ylsulfamoyl)propanoic acid
CID 61454293
2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
CID 114253050
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947081
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxysulfamoyl)propanoic acid?
The IUPAC name of 2-(2-methoxyethoxysulfamoyl)propanoic acid (CID 82706100) is 2-(2-methoxyethoxysulfamoyl)propanoic acid.
What is the SMILES notation for 2-(2-methoxyethoxysulfamoyl)propanoic acid?
The canonical SMILES for 2-(2-methoxyethoxysulfamoyl)propanoic acid is COCCONS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxysulfamoyl)propanoic acid?
The InChIKey is ZANMSBAQHZOWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO6S/c1-5(6(8)9)14(10,11)7-13-4-3-12-2/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-methoxyethoxysulfamoyl)propanoic acid?
2-(2-methoxyethoxysulfamoyl)propanoic acid has a molecular weight of 227.24 g/mol, XLogP of -1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxysulfamoyl)propanoic acid is sourced from PubChem (CID 82706100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).