methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate

C10H19NO3S — CID 43404296

IUPACmethyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CSC
InChIInChI=1S/C10H19NO3S/c1-7(2)5-8(10(13)14-3)11-9(12)6-15-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyXXJDRVUXUQXDBK-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.05
Rot. Bonds6

About methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate

methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate (PubChem CID 43404296) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
PubChem CID43404296
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Namemethyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CSC
InChIInChI=1S/C10H19NO3S/c1-7(2)5-8(10(13)14-3)11-9(12)6-15-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyXXJDRVUXUQXDBK-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate 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-2-[(2-methylsulfanylacetyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate (CID 43404296) is methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)CSC.
What is the InChIKey of methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate?
The InChIKey is XXJDRVUXUQXDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(2)5-8(10(13)14-3)11-9(12)6-15-4/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate?
methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate has a molecular weight of 233.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate is sourced from PubChem (CID 43404296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).