2-(cyclopropylsulfamoyl)-2-methylpropanoic acid

C7H13NO4S — CID 59634315

IUPAC2-(cyclopropylsulfamoyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C7H13NO4S/c1-7(2,6(9)10)13(11,12)8-5-3-4-5/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyIACPJAKVRMNMDN-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.07
Rot. Bonds4

About 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid

2-(cyclopropylsulfamoyl)-2-methylpropanoic acid (PubChem CID 59634315) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfamoyl)-2-methylpropanoic acid
PubChem CID59634315
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-(cyclopropylsulfamoyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C7H13NO4S/c1-7(2,6(9)10)13(11,12)8-5-3-4-5/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyIACPJAKVRMNMDN-UHFFFAOYSA-N
XLogP-0.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethanesulfonamidopropanoic acid
CID 16228507
2-(Cyclopropylsulfamoyl)acetic acid
CID 28773438
2-(Butane-1-sulfonamido)propanoic acid
CID 4961700
2-(Propane-1-sulfonamido)propanoic acid
CID 16226752
(2s)-2-(Butane-1-sulfonamido)propanoic acid
CID 2447740
(2R)-2-(butylsulfonylamino)propanoic acid
CID 2447742
3-(Propylsulfamoyl)propanoic acid
CID 28513999
2-(Propan-2-ylsulfamoyl)acetic acid
CID 28773426
(2R)-2-(tert-butylsulfinylamino)propanoic acid
CID 53487300
2-(Propan-2-ylsulfamoyl)cyclopropane-1-carboxylic acid
CID 57981847
2-Methyl-2-(propylsulfamoyl)propanoic acid
CID 59634202
2-Isopropylsulfamoyl-2-methyl-propionic acid
CID 59634236

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid (CID 59634315) is 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid?
The InChIKey is IACPJAKVRMNMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-7(2,6(9)10)13(11,12)8-5-3-4-5/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid?
2-(cyclopropylsulfamoyl)-2-methylpropanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoyl)-2-methylpropanoic acid is sourced from PubChem (CID 59634315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).