(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide

C11H17N3O4S — CID 61154717

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c12-10(7-8-1-3-9(15)4-2-8)11(16)14-5-6-19(13,17)18/h1-4,10,15H,5-7,12H2,(H,14,16)(H2,13,17,18)/t10-/m0/s1
InChIKeyJYTLSRLBFIQOSH-JTQLQIEISA-N
MW287.34 g/mol
LogP-1.33
Rot. Bonds6

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide (PubChem CID 61154717) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
PubChem CID61154717
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c12-10(7-8-1-3-9(15)4-2-8)11(16)14-5-6-19(13,17)18/h1-4,10,15H,5-7,12H2,(H,14,16)(H2,13,17,18)/t10-/m0/s1
InChIKeyJYTLSRLBFIQOSH-JTQLQIEISA-N
XLogP-1.33
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 68795830
2-amino-3-(4-hydroxyphenyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947546
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391024

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide (CID 61154717) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
The InChIKey is JYTLSRLBFIQOSH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O4S/c12-10(7-8-1-3-9(15)4-2-8)11(16)14-5-6-19(13,17)18/h1-4,10,15H,5-7,12H2,(H,14,16)(H2,13,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide has a molecular weight of 287.34 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 61154717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).