2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid

C8H18N2O4S — CID 114814529

IUPAC2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
SMILESCC(C)CNS(=O)(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)5-9-15(13,14)10(4)7(3)8(11)12/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyMYSFKHYUIKYJMN-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.12
Rot. Bonds6

About 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid

2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid (PubChem CID 114814529) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
PubChem CID114814529
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
SMILESCC(C)CNS(=O)(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)5-9-15(13,14)10(4)7(3)8(11)12/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyMYSFKHYUIKYJMN-UHFFFAOYSA-N
XLogP-0.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]sulfamoylamino]-3-methylbutanoic acid
CID 134964133
2-aminoacetic acid;(2S)-2-aminopropanoic acid;2-(methylamino)acetic acid
CID 18639103
2-Aminopropanoic acid;2-(trimethylazaniumyl)acetate
CID 21259675
2-(Dimethylsulfamoylamino)propanoic acid
CID 24262836
2-(Dimethylsulfamoylamino)-3-methylbutanoic acid
CID 24262922
(2S)-2-(dimethylsulfamoylamino)propanoic acid
CID 28363742
(2R)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363754
(2S)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363756
2-(methylamino)propanoic acid;(2S)-2-(methylamino)propanoic acid
CID 87147212
(2S)-2-aminopropanoic acid;(2S)-2-(dimethylamino)propanoic acid
CID 87675012
2-Aminopropanoic acid;2-(dimethylamino)propanoic acid
CID 87675013
(2S)-2-aminopropanoic acid;2-(dimethylamino)propanoic acid
CID 87675014

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid (CID 114814529) is 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid is CC(C)CNS(=O)(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid?
The InChIKey is MYSFKHYUIKYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)5-9-15(13,14)10(4)7(3)8(11)12/h6-7,9H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid?
2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114814529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).