3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid

C10H22N2O4S — CID 87891321

IUPAC3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)CN(C(C)C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-8(2)7-12(9(3)4)17(15,16)11-6-5-10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeyAXICCCJZUUFCQK-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds8

About 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid

3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid (PubChem CID 87891321) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
PubChem CID87891321
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)CN(C(C)C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-8(2)7-12(9(3)4)17(15,16)11-6-5-10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeyAXICCCJZUUFCQK-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

3-[Tert-butyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 113636711
3-(Butan-2-ylamino)-2-methylpropanoic acid
CID 43538355
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
2-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891136
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
2-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891187
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
2-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891320
2-(Dibutylsulfamoylamino)propanoic acid
CID 87891794
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
3-Amino-2-(diethylsulfamoylamino)propanoic acid
CID 88247820

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid (CID 87891321) is 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid is CC(C)CN(C(C)C)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The InChIKey is AXICCCJZUUFCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(2)7-12(9(3)4)17(15,16)11-6-5-10(13)14/h8-9,11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 87891321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).