ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate

C10H14N2O3S — CID 63619076

IUPACethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)CN
InChIInChI=1S/C10H14N2O3S/c1-3-15-10(14)7-4-6(2)16-9(7)12-8(13)5-11/h4H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyDQZLZAPOECYWPX-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.13
Rot. Bonds4

About ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate

ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 63619076) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID63619076
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)CN
InChIInChI=1S/C10H14N2O3S/c1-3-15-10(14)7-4-6(2)16-9(7)12-8(13)5-11/h4H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyDQZLZAPOECYWPX-UHFFFAOYSA-N
XLogP1.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 5-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 122157163
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629
ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 17173072
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 60795222
ethyl 2-(2-bromobutanoylamino)-5-methylthiophene-3-carboxylate
CID 63617193
ethyl 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-5-methylthiophene-3-carboxylate
CID 63618206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate (CID 63619076) is ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)CN.
What is the InChIKey of ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is DQZLZAPOECYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-15-10(14)7-4-6(2)16-9(7)12-8(13)5-11/h4H,3,5,11H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate?
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 63619076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).