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

C12H16N2O4S — CID 54926117

IUPAC3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid
SMILESNS(=O)(=O)c1ccccc1N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H16N2O4S/c13-19(17,18)11-4-2-1-3-10(11)14(9-5-6-9)8-7-12(15)16/h1-4,9H,5-8H2,(H,15,16)(H2,13,17,18)
InChIKeyDAJLBLPECSLHSM-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.78
Rot. Bonds6

About 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid

3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid (PubChem CID 54926117) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid
PubChem CID54926117
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid
SMILESNS(=O)(=O)c1ccccc1N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H16N2O4S/c13-19(17,18)11-4-2-1-3-10(11)14(9-5-6-9)8-7-12(15)16/h1-4,9H,5-8H2,(H,15,16)(H2,13,17,18)
InChIKeyDAJLBLPECSLHSM-UHFFFAOYSA-N
XLogP0.78
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102874536
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3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid
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3-(N-(4,4-dimethylcyclohexyl)-2-methylanilino)propanoic acid
CID 65059613
N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63759021
3-[2-methyl-N-(oxan-3-yl)anilino]propanoic acid
CID 65059140
N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63765668
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580
2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
CID 102868971
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
CID 102874822

Frequently Asked Questions

What is the IUPAC name of 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid?
The IUPAC name of 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid (CID 54926117) is 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid.
What is the SMILES notation for 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid?
The canonical SMILES for 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid is NS(=O)(=O)c1ccccc1N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid?
The InChIKey is DAJLBLPECSLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c13-19(17,18)11-4-2-1-3-10(11)14(9-5-6-9)8-7-12(15)16/h1-4,9H,5-8H2,(H,15,16)(H2,13,17,18).
What are the key properties of 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid?
3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid has a molecular weight of 284.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid is sourced from PubChem (CID 54926117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).