3-(dipropylsulfamoylamino)-2-methylpropanoic acid

C10H22N2O4S — CID 55105020

IUPAC3-(dipropylsulfamoylamino)-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-6-12(7-5-2)17(15,16)11-8-9(3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyHVIKXIIZUCMMPH-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds9

About 3-(dipropylsulfamoylamino)-2-methylpropanoic acid

3-(dipropylsulfamoylamino)-2-methylpropanoic acid (PubChem CID 55105020) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-(dipropylsulfamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(dipropylsulfamoylamino)-2-methylpropanoic acid
PubChem CID55105020
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-(dipropylsulfamoylamino)-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-6-12(7-5-2)17(15,16)11-8-9(3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyHVIKXIIZUCMMPH-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid
CID 114805975
2-Methyl-3-(2-methylpropylamino)propanoic acid
CID 43538356
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
3-(2-Carboxypropylamino)-2-methylpropanoic acid
CID 13451328
3-[2-Aminoethyl(2-carboxypropyl)amino]-2-methylpropanoic acid
CID 21426937
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
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
2-Methyl-3-(2-methylpropylamino)-2-(sulfonylamino)propanoic acid
CID 88340011

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(dipropylsulfamoylamino)-2-methylpropanoic acid (CID 55105020) is 3-(dipropylsulfamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(dipropylsulfamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(dipropylsulfamoylamino)-2-methylpropanoic acid is CCCN(CCC)S(=O)(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-(dipropylsulfamoylamino)-2-methylpropanoic acid?
The InChIKey is HVIKXIIZUCMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-6-12(7-5-2)17(15,16)11-8-9(3)10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-(dipropylsulfamoylamino)-2-methylpropanoic acid?
3-(dipropylsulfamoylamino)-2-methylpropanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 55105020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).