(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid

C10H21N3O5S — CID 106340640

IUPAC(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
SMILESCNS(=O)(=O)CCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21N3O5S/c1-10(2,3)7(8(14)15)13-9(16)12-5-6-19(17,18)11-4/h7,11H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t7-/m0/s1
InChIKeyLGYVCLWTSXALEC-ZETCQYMHSA-N
MW295.36 g/mol
LogP-0.67
Rot. Bonds6

About (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid

(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid (PubChem CID 106340640) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
PubChem CID106340640
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
SMILESCNS(=O)(=O)CCNC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21N3O5S/c1-10(2,3)7(8(14)15)13-9(16)12-5-6-19(17,18)11-4/h7,11H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t7-/m0/s1
InChIKeyLGYVCLWTSXALEC-ZETCQYMHSA-N
XLogP-0.67
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659
(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340510
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
(2R)-3,3-dimethyl-2-(5-methylhexylcarbamoylamino)butanoic acid
CID 103928213
2-[2-(methylsulfamoyl)ethylcarbamoylamino]-4-methylsulfonylbutanoic acid
CID 106340544
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-3,3-dimethyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 63960155
(2S)-2-[2-(dimethylcarbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 83112727
(2S)-3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 61197432

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid (CID 106340640) is (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid is CNS(=O)(=O)CCNC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
The InChIKey is LGYVCLWTSXALEC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-10(2,3)7(8(14)15)13-9(16)12-5-6-19(17,18)11-4/h7,11H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t7-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid?
(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106340640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).