methyl 2-(3-aminothiophen-2-yl)acetate

C7H9NO2S — CID 59473832

IUPACmethyl 2-(3-aminothiophen-2-yl)acetate
SMILESCOC(=O)Cc1sccc1N
InChIInChI=1S/C7H9NO2S/c1-10-7(9)4-6-5(8)2-3-11-6/h2-3H,4,8H2,1H3
InChIKeyWVNIVGROHYAUKK-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.05
Rot. Bonds2

About methyl 2-(3-aminothiophen-2-yl)acetate

methyl 2-(3-aminothiophen-2-yl)acetate (PubChem CID 59473832) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 2-(3-aminothiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-aminothiophen-2-yl)acetate
PubChem CID59473832
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 2-(3-aminothiophen-2-yl)acetate
SMILESCOC(=O)Cc1sccc1N
InChIInChI=1S/C7H9NO2S/c1-10-7(9)4-6-5(8)2-3-11-6/h2-3H,4,8H2,1H3
InChIKeyWVNIVGROHYAUKK-UHFFFAOYSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-aminothiophen-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminothiophen-2-yl)acetate?
The IUPAC name of methyl 2-(3-aminothiophen-2-yl)acetate (CID 59473832) is methyl 2-(3-aminothiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-aminothiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(3-aminothiophen-2-yl)acetate is COC(=O)Cc1sccc1N.
What is the InChIKey of methyl 2-(3-aminothiophen-2-yl)acetate?
The InChIKey is WVNIVGROHYAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-10-7(9)4-6-5(8)2-3-11-6/h2-3H,4,8H2,1H3.
What are the key properties of methyl 2-(3-aminothiophen-2-yl)acetate?
methyl 2-(3-aminothiophen-2-yl)acetate has a molecular weight of 171.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminothiophen-2-yl)acetate is sourced from PubChem (CID 59473832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).