2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid

C10H19NO5S — CID 115730555

IUPAC2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-7(2)5-11(6-9(12)13)10(14)8(3)17(4,15)16/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyKXEYIYFOVHWEIX-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.01
Rot. Bonds6

About 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid

2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid (PubChem CID 115730555) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
PubChem CID115730555
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-7(2)5-11(6-9(12)13)10(14)8(3)17(4,15)16/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyKXEYIYFOVHWEIX-UHFFFAOYSA-N
XLogP-0.01
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid (CID 115730555) is 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C(C)S(C)(=O)=O.
What is the InChIKey of 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid?
The InChIKey is KXEYIYFOVHWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-7(2)5-11(6-9(12)13)10(14)8(3)17(4,15)16/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid?
2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid has a molecular weight of 265.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid is sourced from PubChem (CID 115730555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).