3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid

C10H21NO5S — CID 122071429

IUPAC3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCCC(CC)CS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21NO5S/c1-4-8(5-2)6-17(15,16)11-7-10(3,14)9(12)13/h8,11,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyUWPFOOFOBJIKHI-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.18
Rot. Bonds8

About 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid

3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 122071429) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID122071429
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCCC(CC)CS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21NO5S/c1-4-8(5-2)6-17(15,16)11-7-10(3,14)9(12)13/h8,11,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyUWPFOOFOBJIKHI-UHFFFAOYSA-N
XLogP0.18
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid (CID 122071429) is 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid is CCC(CC)CS(=O)(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is UWPFOOFOBJIKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-4-8(5-2)6-17(15,16)11-7-10(3,14)9(12)13/h8,11,14H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid?
3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122071429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).