4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid

C8H17NO5S — CID 80540283

IUPAC4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
SMILESCOCCS(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C8H17NO5S/c1-7(8(10)11)3-4-9-15(12,13)6-5-14-2/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyOXNBPTUNSCGBJN-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.34
Rot. Bonds8

About 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid

4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid (PubChem CID 80540283) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
PubChem CID80540283
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
SMILESCOCCS(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C8H17NO5S/c1-7(8(10)11)3-4-9-15(12,13)6-5-14-2/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyOXNBPTUNSCGBJN-UHFFFAOYSA-N
XLogP-0.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic 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

2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 104683008
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-[3-(2-methoxyethylsulfonylamino)propyl]acetamide
CID 110309562
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid (CID 80540283) is 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid is COCCS(=O)(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid?
The InChIKey is OXNBPTUNSCGBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-7(8(10)11)3-4-9-15(12,13)6-5-14-2/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid?
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid has a molecular weight of 239.29 g/mol, XLogP of -0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80540283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).