4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid

C9H18N2O5S — CID 119357249

IUPAC4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid
SMILESCNS(=O)(=O)CC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-9(2,5-4-8(13)14)11-7(12)6-17(15,16)10-3/h10H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeySKOIUCRIEMCFLY-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.70
Rot. Bonds7

About 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid

4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid (PubChem CID 119357249) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid
PubChem CID119357249
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid
SMILESCNS(=O)(=O)CC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-9(2,5-4-8(13)14)11-7(12)6-17(15,16)10-3/h10H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeySKOIUCRIEMCFLY-UHFFFAOYSA-N
XLogP-0.70
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 102113261
4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoic acid
CID 10880301
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-methyl-4-[[2-[1-(methylsulfonylmethyl)cyclopropyl]acetyl]amino]pentanoic acid
CID 119357761
4-methyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 112700739
4-methyl-4-[[2-(2,4,5-trifluorophenyl)acetyl]amino]pentanoic acid
CID 119357519
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
CID 119204427
4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
CID 119204659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid (CID 119357249) is 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid is CNS(=O)(=O)CC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid?
The InChIKey is SKOIUCRIEMCFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-9(2,5-4-8(13)14)11-7(12)6-17(15,16)10-3/h10H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid?
4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119357249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).