methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate

C10H19NO3S — CID 60714472

IUPACmethyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CCSC
InChIInChI=1S/C10H19NO3S/c1-11(9(12)6-8-15-3)7-4-5-10(13)14-2/h4-8H2,1-3H3
InChIKeyINVXLGNOWNQIFC-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.15
Rot. Bonds7

About methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate

methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate (PubChem CID 60714472) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate
PubChem CID60714472
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Namemethyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CCSC
InChIInChI=1S/C10H19NO3S/c1-11(9(12)6-8-15-3)7-4-5-10(13)14-2/h4-8H2,1-3H3
InChIKeyINVXLGNOWNQIFC-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate (CID 60714472) is methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate is COC(=O)CCCN(C)C(=O)CCSC.
What is the InChIKey of methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate?
The InChIKey is INVXLGNOWNQIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-11(9(12)6-8-15-3)7-4-5-10(13)14-2/h4-8H2,1-3H3.
What are the key properties of methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate?
methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate has a molecular weight of 233.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(3-methylsulfanylpropanoyl)amino]butanoate is sourced from PubChem (CID 60714472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).