2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid

C10H22N2O4S — CID 87891320

IUPAC2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)CN(C(C)C)S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-7(2)6-12(8(3)4)17(15,16)11-9(5)10(13)14/h7-9,11H,6H2,1-5H3,(H,13,14)
InChIKeyUMVOTXAWGFIPNJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds7

About 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid

2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid (PubChem CID 87891320) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
PubChem CID87891320
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)CN(C(C)C)S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-7(2)6-12(8(3)4)17(15,16)11-9(5)10(13)14/h7-9,11H,6H2,1-5H3,(H,13,14)
InChIKeyUMVOTXAWGFIPNJ-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.66
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-(Dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792489
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-Amino-3-[2-(dimethylamino)ethyl-(methylsulfamoyl)amino]propanoic acid
CID 87289603
(2S)-2-amino-3-[2-(dimethylamino)ethyl-(methylsulfamoyl)amino]propanoic acid
CID 87289604
(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride
CID 87885045
2-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891136
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid (CID 87891320) is 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid is CC(C)CN(C(C)C)S(=O)(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The InChIKey is UMVOTXAWGFIPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-7(2)6-12(8(3)4)17(15,16)11-9(5)10(13)14/h7-9,11H,6H2,1-5H3,(H,13,14).
What are the key properties of 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 87891320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).