2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid

C9H17NO5S — CID 114465485

IUPAC2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
SMILESC=C(C)COCCNS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7(2)6-15-5-4-10-16(13,14)8(3)9(11)12/h8,10H,1,4-6H2,2-3H3,(H,11,12)
InChIKeyPAXMPAWPRDCTIE-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.03
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid

2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid (PubChem CID 114465485) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
PubChem CID114465485
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
SMILESC=C(C)COCCNS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7(2)6-15-5-4-10-16(13,14)8(3)9(11)12/h8,10H,1,4-6H2,2-3H3,(H,11,12)
InChIKeyPAXMPAWPRDCTIE-UHFFFAOYSA-N
XLogP-0.03
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Methacryloxy-ethyl) ammonium propane sulfonate
CID 87732074
2-(Ethylsulfonylamino)ethyl 2-methylprop-2-enoate
CID 18668344
2-(Octylsulfonylamino)ethyl 2-methylprop-2-enoate
CID 88322636
Dmpas MA
CID 131748464
2-[2-(Ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 139973100
2-[2-[2-(Ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139973102
1-(Ethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate
CID 139973125
2-[2-[2-[2-(Ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139973132
3-(Ethylsulfonylamino)propyl 2-methylprop-2-enoate
CID 139973133
3-(Ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate
CID 139973144
2-(Ethylsulfonylamino)propyl 2-methylprop-2-enoate
CID 139973182
2-Aminoethanesulfinic acid;2-aminoethyl 2-methylprop-2-enoate;ethane
CID 142609281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid (CID 114465485) is 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid is C=C(C)COCCNS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid?
The InChIKey is PAXMPAWPRDCTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-7(2)6-15-5-4-10-16(13,14)8(3)9(11)12/h8,10H,1,4-6H2,2-3H3,(H,11,12).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid?
2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 114465485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).