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

C9H20N2O4S — CID 87891137

IUPAC3-[di(propan-2-yl)sulfamoylamino]propanoic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-7(2)11(8(3)4)16(14,15)10-6-5-9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyISODWACUTJPAPB-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.41
Rot. Bonds7

About 3-[di(propan-2-yl)sulfamoylamino]propanoic acid

3-[di(propan-2-yl)sulfamoylamino]propanoic acid (PubChem CID 87891137) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[di(propan-2-yl)sulfamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[di(propan-2-yl)sulfamoylamino]propanoic acid
PubChem CID87891137
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[di(propan-2-yl)sulfamoylamino]propanoic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-7(2)11(8(3)4)16(14,15)10-6-5-9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyISODWACUTJPAPB-UHFFFAOYSA-N
XLogP0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)sulfamoylamino]propanoic acid?
The IUPAC name of 3-[di(propan-2-yl)sulfamoylamino]propanoic acid (CID 87891137) is 3-[di(propan-2-yl)sulfamoylamino]propanoic acid.
What is the SMILES notation for 3-[di(propan-2-yl)sulfamoylamino]propanoic acid?
The canonical SMILES for 3-[di(propan-2-yl)sulfamoylamino]propanoic acid is CC(C)N(C(C)C)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[di(propan-2-yl)sulfamoylamino]propanoic acid?
The InChIKey is ISODWACUTJPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(2)11(8(3)4)16(14,15)10-6-5-9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-[di(propan-2-yl)sulfamoylamino]propanoic acid?
3-[di(propan-2-yl)sulfamoylamino]propanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)sulfamoylamino]propanoic acid is sourced from PubChem (CID 87891137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).