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

C9H13NO2S — CID 115257254

IUPACethyl 2-[(3-methylthiophen-2-yl)amino]acetate
SMILESCCOC(=O)CNc1sccc1C
InChIInChI=1S/C9H13NO2S/c1-3-12-8(11)6-10-9-7(2)4-5-13-9/h4-5,10H,3,6H2,1-2H3
InChIKeyGKWGMQGXAYMHKR-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.03
Rot. Bonds4

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

ethyl 2-[(3-methylthiophen-2-yl)amino]acetate (PubChem CID 115257254) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl 2-[(3-methylthiophen-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methylthiophen-2-yl)amino]acetate
PubChem CID115257254
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl 2-[(3-methylthiophen-2-yl)amino]acetate
SMILESCCOC(=O)CNc1sccc1C
InChIInChI=1S/C9H13NO2S/c1-3-12-8(11)6-10-9-7(2)4-5-13-9/h4-5,10H,3,6H2,1-2H3
InChIKeyGKWGMQGXAYMHKR-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115232729
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
2-(methylamino)-N-(3-methylthiophen-2-yl)acetamide
CID 115151897
methyl 4-hydroxy-5-[(3-methylthiophen-2-yl)amino]pentanoate
CID 115123526
ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
CID 115149178
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
N'-(3-methylthiophen-2-yl)oxamide
CID 115191626
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257713
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate
CID 54165480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(3-methylthiophen-2-yl)amino]acetate (CID 115257254) is ethyl 2-[(3-methylthiophen-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-methylthiophen-2-yl)amino]acetate is CCOC(=O)CNc1sccc1C.
What is the InChIKey of ethyl 2-[(3-methylthiophen-2-yl)amino]acetate?
The InChIKey is GKWGMQGXAYMHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-12-8(11)6-10-9-7(2)4-5-13-9/h4-5,10H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[(3-methylthiophen-2-yl)amino]acetate?
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate has a molecular weight of 199.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methylthiophen-2-yl)amino]acetate is sourced from PubChem (CID 115257254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).