2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid

C9H17NO5S — CID 61457985

IUPAC2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(C1CC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7(9(11)12)16(13,14)10(5-6-15-2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyMJGXLURASPNJFP-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds7

About 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid

2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid (PubChem CID 61457985) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
PubChem CID61457985
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(C1CC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7(9(11)12)16(13,14)10(5-6-15-2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyMJGXLURASPNJFP-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947081
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
CID 61458209
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086
2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
CID 66213666
3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
CID 114814428
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 61455785
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
1-cyclopropyl-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
CID 63914095
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid (CID 61457985) is 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid is COCCN(C1CC1)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid?
The InChIKey is MJGXLURASPNJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-7(9(11)12)16(13,14)10(5-6-15-2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid?
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61457985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).