2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid

C12H16N2O4S — CID 64668276

IUPAC2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid
SMILESCC(Nc1ccccc1S(N)(=O)=O)(C(=O)O)C1CC1
InChIInChI=1S/C12H16N2O4S/c1-12(11(15)16,8-6-7-8)14-9-4-2-3-5-10(9)19(13,17)18/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyLYFUWHIJQVGYJU-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.00
Rot. Bonds5

About 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid

2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid (PubChem CID 64668276) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid
PubChem CID64668276
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid
SMILESCC(Nc1ccccc1S(N)(=O)=O)(C(=O)O)C1CC1
InChIInChI=1S/C12H16N2O4S/c1-12(11(15)16,8-6-7-8)14-9-4-2-3-5-10(9)19(13,17)18/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyLYFUWHIJQVGYJU-UHFFFAOYSA-N
XLogP1.00
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(2-methylsulfonylanilino)propanoic acid
CID 64668866
2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
CID 64670271
2-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 114598295
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453
2-cyclobutyl-N-(2-sulfamoylphenyl)acetamide
CID 103166193
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylpropanoic acid
CID 62487893
4-(2-sulfamoylanilino)oxolane-3-carboxylic acid
CID 66239707
1,1-diphenyl-3-(2-sulfamoylphenyl)urea
CID 3622343
2-methyl-2-(methylamino)-N-(2-sulfamoylphenyl)propanamide
CID 62845991
2-(1-cyclopropylethylamino)benzenesulfonamide
CID 43533533

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid (CID 64668276) is 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid is CC(Nc1ccccc1S(N)(=O)=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid?
The InChIKey is LYFUWHIJQVGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-12(11(15)16,8-6-7-8)14-9-4-2-3-5-10(9)19(13,17)18/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid?
2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid is sourced from PubChem (CID 64668276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).