2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid

C9H18N2O5S — CID 114814890

IUPAC2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCOCCNS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-7(9(12)13)8-5-11(6-8)17(14,15)10-3-4-16-2/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyBVWSFUKZJVADCZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.88
Rot. Bonds7

About 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid

2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid (PubChem CID 114814890) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid
PubChem CID114814890
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCOCCNS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C9H18N2O5S/c1-7(9(12)13)8-5-11(6-8)17(14,15)10-3-4-16-2/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyBVWSFUKZJVADCZ-UHFFFAOYSA-N
XLogP-0.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1-(2-methoxyethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 105578845
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]acetic acid
CID 114462751
2-[1-(Ethoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463062
2-[1-(Propan-2-yloxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463063
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463064
2-[1-(Propylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806330
2-[1-(Propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806334
2-[1-(Ethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806335
2-[1-(Tert-butylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806336
2-[1-(Propylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807126
2-[1-(Methylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807127
2-[1-(Cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid (CID 114814890) is 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid is COCCNS(=O)(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is BVWSFUKZJVADCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-7(9(12)13)8-5-11(6-8)17(14,15)10-3-4-16-2/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid?
2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethylsulfamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 114814890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).