methyl 2-[(3-methylthiophen-2-yl)amino]acetate

C8H11NO2S — CID 115232729

IUPACmethyl 2-[(3-methylthiophen-2-yl)amino]acetate
SMILESCOC(=O)CNc1sccc1C
InChIInChI=1S/C8H11NO2S/c1-6-3-4-12-8(6)9-5-7(10)11-2/h3-4,9H,5H2,1-2H3
InChIKeyMYVCOOCCDJJFIL-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.64
Rot. Bonds3

About methyl 2-[(3-methylthiophen-2-yl)amino]acetate

methyl 2-[(3-methylthiophen-2-yl)amino]acetate (PubChem CID 115232729) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 2-[(3-methylthiophen-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methylthiophen-2-yl)amino]acetate
PubChem CID115232729
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 2-[(3-methylthiophen-2-yl)amino]acetate
SMILESCOC(=O)CNc1sccc1C
InChIInChI=1S/C8H11NO2S/c1-6-3-4-12-8(6)9-5-7(10)11-2/h3-4,9H,5H2,1-2H3
InChIKeyMYVCOOCCDJJFIL-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254
methyl 4-hydroxy-5-[(3-methylthiophen-2-yl)amino]pentanoate
CID 115123526
2-(methylamino)-N-(3-methylthiophen-2-yl)acetamide
CID 115151897
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
(E)-4-[(3-methylthiophen-2-yl)amino]but-2-enoic acid
CID 115236946
N-(3-methylthiophen-2-yl)-3-oxobutanamide
CID 115176235
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257713
N'-(3-methylthiophen-2-yl)oxamide
CID 115191626
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
3-[(3-methylthiophen-2-yl)amino]propane-1,2-diol
CID 115121947
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(3-methylthiophen-2-yl)amino]acetate (CID 115232729) is methyl 2-[(3-methylthiophen-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(3-methylthiophen-2-yl)amino]acetate is COC(=O)CNc1sccc1C.
What is the InChIKey of methyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The InChIKey is MYVCOOCCDJJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-3-4-12-8(6)9-5-7(10)11-2/h3-4,9H,5H2,1-2H3.
What are the key properties of methyl 2-[(3-methylthiophen-2-yl)amino]acetate?
methyl 2-[(3-methylthiophen-2-yl)amino]acetate has a molecular weight of 185.25 g/mol, XLogP of 1.64, 3 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)amino]acetate is sourced from PubChem (CID 115232729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).