2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid

C11H23NO4S — CID 106727638

IUPAC2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
SMILESCCC(CC)(NCCS(=O)(=O)C(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-5-11(6-2,10(13)14)12-7-8-17(15,16)9(3)4/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyQTNHPKZCAGURKH-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.04
Rot. Bonds8

About 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid

2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid (PubChem CID 106727638) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
PubChem CID106727638
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
SMILESCCC(CC)(NCCS(=O)(=O)C(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-5-11(6-2,10(13)14)12-7-8-17(15,16)9(3)4/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyQTNHPKZCAGURKH-UHFFFAOYSA-N
XLogP1.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
CID 79810255
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-ethyl-4-methyl-2-(methylamino)hexanoic acid
CID 43753669
2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 113251242
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid (CID 106727638) is 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid is CCC(CC)(NCCS(=O)(=O)C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid?
The InChIKey is QTNHPKZCAGURKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-5-11(6-2,10(13)14)12-7-8-17(15,16)9(3)4/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid?
2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid is sourced from PubChem (CID 106727638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).