methyl 2-(thiophen-2-ylmethylamino)acetate

C8H11NO2S — CID 11332886

IUPACmethyl 2-(thiophen-2-ylmethylamino)acetate
SMILESCOC(=O)CNCc1cccs1
InChIInChI=1S/C8H11NO2S/c1-11-8(10)6-9-5-7-3-2-4-12-7/h2-4,9H,5-6H2,1H3
InChIKeyFJUOVWBCJFWVKW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-(thiophen-2-ylmethylamino)acetate

methyl 2-(thiophen-2-ylmethylamino)acetate (PubChem CID 11332886) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 2-(thiophen-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(thiophen-2-ylmethylamino)acetate
PubChem CID11332886
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 2-(thiophen-2-ylmethylamino)acetate
SMILESCOC(=O)CNCc1cccs1
InChIInChI=1S/C8H11NO2S/c1-11-8(10)6-9-5-7-3-2-4-12-7/h2-4,9H,5-6H2,1H3
InChIKeyFJUOVWBCJFWVKW-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophen-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-(thiophen-2-ylmethylamino)acetate (CID 11332886) is methyl 2-(thiophen-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(thiophen-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(thiophen-2-ylmethylamino)acetate is COC(=O)CNCc1cccs1.
What is the InChIKey of methyl 2-(thiophen-2-ylmethylamino)acetate?
The InChIKey is FJUOVWBCJFWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-11-8(10)6-9-5-7-3-2-4-12-7/h2-4,9H,5-6H2,1H3.
What are the key properties of methyl 2-(thiophen-2-ylmethylamino)acetate?
methyl 2-(thiophen-2-ylmethylamino)acetate has a molecular weight of 185.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiophen-2-ylmethylamino)acetate is sourced from PubChem (CID 11332886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).