methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate

C11H17NO2S — CID 61345774

IUPACmethyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)c1sccc1C
InChIInChI=1S/C11H17NO2S/c1-7(2)12-9(11(13)14-4)10-8(3)5-6-15-10/h5-7,9,12H,1-4H3
InChIKeyMVTUVFUVUNPAOJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate

methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate (PubChem CID 61345774) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate
PubChem CID61345774
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)c1sccc1C
InChIInChI=1S/C11H17NO2S/c1-7(2)12-9(11(13)14-4)10-8(3)5-6-15-10/h5-7,9,12H,1-4H3
InChIKeyMVTUVFUVUNPAOJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate
CID 61347156
methyl 2-(2-fluoroanilino)-2-(3-methylthiophen-2-yl)acetate
CID 61346959
2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetamide
CID 61346770
2-[2-(dimethylamino)ethylamino]-2-(3-methylthiophen-2-yl)acetamide
CID 61347921
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
methyl (2R,3S)-3-hydroxy-2-[(3-methylthiophen-2-yl)methylamino]butanoate
CID 99793358
methyl 2-anilino-2-(3-bromothiophen-2-yl)acetate
CID 113298141
N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63990640
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate (CID 61345774) is methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate is COC(=O)C(NC(C)C)c1sccc1C.
What is the InChIKey of methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate?
The InChIKey is MVTUVFUVUNPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-7(2)12-9(11(13)14-4)10-8(3)5-6-15-10/h5-7,9,12H,1-4H3.
What are the key properties of methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate?
methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate has a molecular weight of 227.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 61345774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).