(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid

C8H17N3O6S — CID 106340659

IUPAC(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
SMILESCNS(=O)(=O)CCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H17N3O6S/c1-9-18(16,17)5-3-10-8(15)11-6(2-4-12)7(13)14/h6,9,12H,2-5H2,1H3,(H,13,14)(H2,10,11,15)/t6-/m1/s1
InChIKeyYKOOEGXBVZIPFY-ZCFIWIBFSA-N
MW283.31 g/mol
LogP-2.33
Rot. Bonds8

About (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid (PubChem CID 106340659) has the molecular formula C8H17N3O6S and a molecular weight of 283.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
PubChem CID106340659
Molecular FormulaC8H17N3O6S
Molecular Weight283.31 g/mol
Exact Mass283.08
IUPAC Name(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
SMILESCNS(=O)(=O)CCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H17N3O6S/c1-9-18(16,17)5-3-10-8(15)11-6(2-4-12)7(13)14/h6,9,12H,2-5H2,1H3,(H,13,14)(H2,10,11,15)/t6-/m1/s1
InChIKeyYKOOEGXBVZIPFY-ZCFIWIBFSA-N
XLogP-2.33
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731
(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340510
2-[2-(methylsulfamoyl)ethylcarbamoylamino]-4-methylsulfonylbutanoic acid
CID 106340544
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 107826259
5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340722
(2R)-4-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 107827205
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340386
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340640
(2S)-4-hydroxy-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 107827554
3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
CID 61206300

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid (CID 106340659) is (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid is CNS(=O)(=O)CCNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
The InChIKey is YKOOEGXBVZIPFY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17N3O6S/c1-9-18(16,17)5-3-10-8(15)11-6(2-4-12)7(13)14/h6,9,12H,2-5H2,1H3,(H,13,14)(H2,10,11,15)/t6-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid has a molecular weight of 283.31 g/mol, XLogP of -2.33, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106340659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).