2-[di(propan-2-yl)sulfamoylamino]propanoic acid

C9H20N2O4S — CID 87891136

IUPAC2-[di(propan-2-yl)sulfamoylamino]propanoic acid
SMILESCC(NS(=O)(=O)N(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6(2)11(7(3)4)16(14,15)10-8(5)9(12)13/h6-8,10H,1-5H3,(H,12,13)
InChIKeyMZEJKGBKBZCFGO-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.41
Rot. Bonds6

About 2-[di(propan-2-yl)sulfamoylamino]propanoic acid

2-[di(propan-2-yl)sulfamoylamino]propanoic acid (PubChem CID 87891136) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[di(propan-2-yl)sulfamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[di(propan-2-yl)sulfamoylamino]propanoic acid
PubChem CID87891136
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[di(propan-2-yl)sulfamoylamino]propanoic acid
SMILESCC(NS(=O)(=O)N(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6(2)11(7(3)4)16(14,15)10-8(5)9(12)13/h6-8,10H,1-5H3,(H,12,13)
InChIKeyMZEJKGBKBZCFGO-UHFFFAOYSA-N
XLogP0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

DL-Alaninium sulfate
CID 129696076
2-aminopropanoic acid;N,N-diethylethanamine
CID 12544898
(2S)-2-aminopropanoic acid;N,N-diethylethanamine
CID 12544899
Tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid
CID 21441171
tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;sulfuric acid
CID 22795247
3-Amino-2-(dimethylsulfamoylamino)propanoic acid
CID 23223724
2-(Dimethylsulfamoylamino)propanoic acid
CID 24262836
2-(Dimethylsulfamoylamino)-3-methylbutanoic acid
CID 24262922
2-(Sulfamoylamino)propanoic acid
CID 24711588
(2S)-2-(dimethylsulfamoylamino)propanoic acid
CID 28363742
(2R)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363754
(2S)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363756

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)sulfamoylamino]propanoic acid?
The IUPAC name of 2-[di(propan-2-yl)sulfamoylamino]propanoic acid (CID 87891136) is 2-[di(propan-2-yl)sulfamoylamino]propanoic acid.
What is the SMILES notation for 2-[di(propan-2-yl)sulfamoylamino]propanoic acid?
The canonical SMILES for 2-[di(propan-2-yl)sulfamoylamino]propanoic acid is CC(NS(=O)(=O)N(C(C)C)C(C)C)C(=O)O.
What is the InChIKey of 2-[di(propan-2-yl)sulfamoylamino]propanoic acid?
The InChIKey is MZEJKGBKBZCFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-6(2)11(7(3)4)16(14,15)10-8(5)9(12)13/h6-8,10H,1-5H3,(H,12,13).
What are the key properties of 2-[di(propan-2-yl)sulfamoylamino]propanoic acid?
2-[di(propan-2-yl)sulfamoylamino]propanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)sulfamoylamino]propanoic acid is sourced from PubChem (CID 87891136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).