ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate

C12H17NO3S — CID 55003743

IUPACethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCc1cccs1
InChIInChI=1S/C12H17NO3S/c1-3-16-12(15)9-13(2)11(14)7-6-10-5-4-8-17-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyIDUZVXAHYXQSQO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.70
Rot. Bonds6

About ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate

ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate (PubChem CID 55003743) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate
PubChem CID55003743
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCc1cccs1
InChIInChI=1S/C12H17NO3S/c1-3-16-12(15)9-13(2)11(14)7-6-10-5-4-8-17-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyIDUZVXAHYXQSQO-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate (CID 55003743) is ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate is CCOC(=O)CN(C)C(=O)CCc1cccs1.
What is the InChIKey of ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate?
The InChIKey is IDUZVXAHYXQSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-16-12(15)9-13(2)11(14)7-6-10-5-4-8-17-10/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate?
ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate has a molecular weight of 255.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate is sourced from PubChem (CID 55003743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).