3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid

C10H21NO5S — CID 60950187

IUPAC3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
SMILESCOCCN(CC(C)C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-9(2)8-11(5-6-16-3)17(14,15)7-4-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyMFVRKQUVBMATIS-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.40
Rot. Bonds9

About 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid

3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid (PubChem CID 60950187) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
PubChem CID60950187
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
SMILESCOCCN(CC(C)C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H21NO5S/c1-9(2)8-11(5-6-16-3)17(14,15)7-4-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyMFVRKQUVBMATIS-UHFFFAOYSA-N
XLogP0.40
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54986230
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 63246102
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
CID 55261573
4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
CID 54986328
2-[2-(dimethylamino)ethyl-(3-methoxypropylsulfonyl)amino]acetic acid
CID 103862479

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid (CID 60950187) is 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid is COCCN(CC(C)C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
The InChIKey is MFVRKQUVBMATIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-9(2)8-11(5-6-16-3)17(14,15)7-4-10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid?
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60950187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).