methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate

C8H10N2O3S — CID 134241403

IUPACmethyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate
SMILESCOC(=O)Cc1cc(C(N)=O)c(N)s1
InChIInChI=1S/C8H10N2O3S/c1-13-6(11)3-4-2-5(7(9)12)8(10)14-4/h2H,3,10H2,1H3,(H2,9,12)
InChIKeyMCYZKEQYXHWDSW-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.14
Rot. Bonds3

About methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate

methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate (PubChem CID 134241403) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate
PubChem CID134241403
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate
SMILESCOC(=O)Cc1cc(C(N)=O)c(N)s1
InChIInChI=1S/C8H10N2O3S/c1-13-6(11)3-4-2-5(7(9)12)8(10)14-4/h2H,3,10H2,1H3,(H2,9,12)
InChIKeyMCYZKEQYXHWDSW-UHFFFAOYSA-N
XLogP0.14
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate
CID 146300530
methyl 2-(4,5-dimethylthiophen-2-yl)acetate
CID 13351277
methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate
CID 82316828
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
methyl 2-amino-5-octylthiophene-3-carboxylate
CID 72704993
methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate
CID 86241486
methyl 2-amino-5-[(4-ethylphenyl)sulfanylmethyl]thiophene-3-carboxylate
CID 72705563
2-amino-5-propylthiophene-3-carbohydrazide
CID 42583185
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate
CID 84750743
dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate (CID 134241403) is methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate is COC(=O)Cc1cc(C(N)=O)c(N)s1.
What is the InChIKey of methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate?
The InChIKey is MCYZKEQYXHWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-13-6(11)3-4-2-5(7(9)12)8(10)14-4/h2H,3,10H2,1H3,(H2,9,12).
What are the key properties of methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate?
methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate has a molecular weight of 214.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-4-carbamoylthiophen-2-yl)acetate is sourced from PubChem (CID 134241403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).