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

C10H19NO3S — CID 43431441

IUPACmethyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)CSC)C(=O)OC
InChIInChI=1S/C10H19NO3S/c1-5-6-10(2,9(13)14-3)11-8(12)7-15-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyKZYQKGYTRHYGFC-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.20
Rot. Bonds6

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

methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate (PubChem CID 43431441) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
PubChem CID43431441
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Namemethyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)CSC)C(=O)OC
InChIInChI=1S/C10H19NO3S/c1-5-6-10(2,9(13)14-3)11-8(12)7-15-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyKZYQKGYTRHYGFC-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-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

Related Compounds

methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl 2-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoate
CID 43431443
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 119729099
methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-methylpentanoate
CID 43423729
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
CID 43431496
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2-methylpentanoate
CID 43423735
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
CID 120589059
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate (CID 43431441) is methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate is CCCC(C)(NC(=O)CSC)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate?
The InChIKey is KZYQKGYTRHYGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-5-6-10(2,9(13)14-3)11-8(12)7-15-4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate?
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate has a molecular weight of 233.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate is sourced from PubChem (CID 43431441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).