2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid

C11H21NO5S — CID 54947081

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H21NO5S/c1-8(10-4-5-10)12(6-7-17-3)18(15,16)9(2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyMLPSDZANHJHXFN-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.54
Rot. Bonds8

About 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid

2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid (PubChem CID 54947081) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
PubChem CID54947081
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H21NO5S/c1-8(10-4-5-10)12(6-7-17-3)18(15,16)9(2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyMLPSDZANHJHXFN-UHFFFAOYSA-N
XLogP0.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propane-2-sulfonamide
CID 62351553
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide
CID 83083949
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
CID 62159021
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide
CID 60946822
cis-(1S,2R)-2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114091974
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
CID 54875337

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid (CID 54947081) is 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid is COCCN(C(C)C1CC1)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid?
The InChIKey is MLPSDZANHJHXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-8(10-4-5-10)12(6-7-17-3)18(15,16)9(2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid?
2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid has a molecular weight of 279.36 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).