2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid

C8H17NO4S — CID 43468064

IUPAC2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
SMILESCCS(=O)(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-5-14(12,13)9-6(7(10)11)8(2,3)4/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyVTYRXXJWSHCOJQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.43
Rot. Bonds4

About 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid

2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid (PubChem CID 43468064) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
PubChem CID43468064
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
SMILESCCS(=O)(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-5-14(12,13)9-6(7(10)11)8(2,3)4/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyVTYRXXJWSHCOJQ-UHFFFAOYSA-N
XLogP0.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
(2S)-2-(cyclohexylmethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 61454161
(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid
CID 113353089
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
2-[(4-cyanophenyl)methylsulfonylamino]-3,3-dimethylbutanoic acid
CID 43468038
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162
2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid
CID 105360711
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843
(2S)-2-(ethylsulfonylamino)butanedioic acid
CID 87146468

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid (CID 43468064) is 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid is CCS(=O)(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid?
The InChIKey is VTYRXXJWSHCOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-5-14(12,13)9-6(7(10)11)8(2,3)4/h6,9H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid?
2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43468064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).