(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid

C7H15N3O6S — CID 107826259

IUPAC(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESNS(=O)(=O)CCNC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H15N3O6S/c8-17(15,16)4-2-9-7(14)10-5(1-3-11)6(12)13/h5,11H,1-4H2,(H,12,13)(H2,8,15,16)(H2,9,10,14)/t5-/m0/s1
InChIKeyCEWYTSBVOZDOFB-YFKPBYRVSA-N
MW269.28 g/mol
LogP-2.59
Rot. Bonds7

About (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid

(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid (PubChem CID 107826259) has the molecular formula C7H15N3O6S and a molecular weight of 269.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
PubChem CID107826259
Molecular FormulaC7H15N3O6S
Molecular Weight269.28 g/mol
Exact Mass269.07
IUPAC Name(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESNS(=O)(=O)CCNC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C7H15N3O6S/c8-17(15,16)4-2-9-7(14)10-5(1-3-11)6(12)13/h5,11H,1-4H2,(H,12,13)(H2,8,15,16)(H2,9,10,14)/t5-/m0/s1
InChIKeyCEWYTSBVOZDOFB-YFKPBYRVSA-N
XLogP-2.59
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731
(2R)-4-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 107827205
(2S)-4-hydroxy-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 107827554
(2S)-4-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 114139590
(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340386
3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid
CID 61201501
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
(2S)-2-(but-3-enylcarbamoylamino)-4-hydroxybutanoic acid
CID 107828972
3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
CID 61206300
2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
CID 106722812

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid (CID 107826259) is (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid is NS(=O)(=O)CCNC(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The InChIKey is CEWYTSBVOZDOFB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N3O6S/c8-17(15,16)4-2-9-7(14)10-5(1-3-11)6(12)13/h5,11H,1-4H2,(H,12,13)(H2,8,15,16)(H2,9,10,14)/t5-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid?
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid has a molecular weight of 269.28 g/mol, XLogP of -2.59, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107826259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).