methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate

C9H18N2O5S — CID 57264871

IUPACmethyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate
SMILESCCCCS(=O)(=O)NC(CC(N)=O)C(=O)OC
InChIInChI=1S/C9H18N2O5S/c1-3-4-5-17(14,15)11-7(6-8(10)12)9(13)16-2/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyOPDABLPECQUWOK-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.88
Rot. Bonds8

About methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate

methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate (PubChem CID 57264871) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate
PubChem CID57264871
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Namemethyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate
SMILESCCCCS(=O)(=O)NC(CC(N)=O)C(=O)OC
InChIInChI=1S/C9H18N2O5S/c1-3-4-5-17(14,15)11-7(6-8(10)12)9(13)16-2/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyOPDABLPECQUWOK-UHFFFAOYSA-N
XLogP-0.88
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate 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

methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
CID 93038199
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
methyl (2S)-4-amino-2-(butylsulfonylamino)butanoate;hydrochloride
CID 22859106
(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid
CID 104935127
2-[[4-amino-2-(heptylsulfonylamino)-4-oxobutanoyl]amino]propanoic acid
CID 146381944
2-[[4-amino-4-oxo-2-(tridecylsulfonylamino)butanoyl]amino]propanoic acid
CID 146381931
(2S)-2-[[(2R)-4-amino-2-(heptylsulfonylamino)-4-oxobutanoyl]amino]propanoic acid
CID 146381943
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
2-(butylsulfonylamino)oxyacetamide
CID 112673472

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate?
The IUPAC name of methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate (CID 57264871) is methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate.
What is the SMILES notation for methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate?
The canonical SMILES for methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate is CCCCS(=O)(=O)NC(CC(N)=O)C(=O)OC.
What is the InChIKey of methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate?
The InChIKey is OPDABLPECQUWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-3-4-5-17(14,15)11-7(6-8(10)12)9(13)16-2/h7,11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate?
methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate has a molecular weight of 266.32 g/mol, XLogP of -0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate is sourced from PubChem (CID 57264871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).