methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate

C11H17NO2S — CID 43725939

IUPACmethyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1sccc1C
InChIInChI=1S/C11H17NO2S/c1-8-5-6-15-9(8)7-12-11(2,3)10(13)14-4/h5-6,12H,7H2,1-4H3
InChIKeyYVKZAUNKZRUEJS-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate

methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate (PubChem CID 43725939) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate
PubChem CID43725939
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1sccc1C
InChIInChI=1S/C11H17NO2S/c1-8-5-6-15-9(8)7-12-11(2,3)10(13)14-4/h5-6,12H,7H2,1-4H3
InChIKeyYVKZAUNKZRUEJS-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate 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-bromothiophen-2-yl)methylamino]-2-methylpropanoate
CID 78952228
methyl 2-[(3-acetamidothiophen-2-yl)methylamino]-2-methylpropanoate
CID 66387556
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
methyl 4-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43139141
methyl 4-methyl-3-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43680502
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
methyl 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43679192
3,3-dimethyl-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115220368
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113237010
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate (CID 43725939) is methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate is COC(=O)C(C)(C)NCc1sccc1C.
What is the InChIKey of methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate?
The InChIKey is YVKZAUNKZRUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-5-6-15-9(8)7-12-11(2,3)10(13)14-4/h5-6,12H,7H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate?
methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate has a molecular weight of 227.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate is sourced from PubChem (CID 43725939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).