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

C11H16N2O3S — CID 112730433

IUPACethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1sccc1C
InChIInChI=1S/C11H16N2O3S/c1-3-16-10(14)7-13-11(15)12-6-9-8(2)4-5-17-9/h4-5H,3,6-7H2,1-2H3,(H2,12,13,15)
InChIKeyPDMCGRANXCYXMX-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.42
Rot. Bonds5

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

ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate (PubChem CID 112730433) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
PubChem CID112730433
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1sccc1C
InChIInChI=1S/C11H16N2O3S/c1-3-16-10(14)7-13-11(15)12-6-9-8(2)4-5-17-9/h4-5H,3,6-7H2,1-2H3,(H2,12,13,15)
InChIKeyPDMCGRANXCYXMX-UHFFFAOYSA-N
XLogP1.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
CID 33421608
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate
CID 54165480
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
(2R)-3,3-dimethyl-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 113353255
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate (CID 112730433) is ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1sccc1C.
What is the InChIKey of ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate?
The InChIKey is PDMCGRANXCYXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-16-10(14)7-13-11(15)12-6-9-8(2)4-5-17-9/h4-5H,3,6-7H2,1-2H3,(H2,12,13,15).
What are the key properties of ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate?
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate has a molecular weight of 256.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 112730433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).