[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate

C8H9N3O4S — CID 61316598

IUPAC[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1sccc1N
InChIInChI=1S/C8H9N3O4S/c9-4-1-2-16-6(4)7(13)15-3-5(12)11-8(10)14/h1-2H,3,9H2,(H3,10,11,12,14)
InChIKeyBBMUKVHPHQTLOD-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.32
Rot. Bonds3

About [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate

[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate (PubChem CID 61316598) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
PubChem CID61316598
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1sccc1N
InChIInChI=1S/C8H9N3O4S/c9-4-1-2-16-6(4)7(13)15-3-5(12)11-8(10)14/h1-2H,3,9H2,(H3,10,11,12,14)
InChIKeyBBMUKVHPHQTLOD-UHFFFAOYSA-N
XLogP-0.32
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
CID 61316599
[2-(cyanomethylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316603
[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 62574037
[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 63099562
(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate
CID 61316606
[2-(azepan-1-yl)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61315453
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-fluorobenzoate
CID 61322622
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61322567
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
[2-(carbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890640
[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627221
[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
CID 2469650

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate (CID 61316598) is [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate is NC(=O)NC(=O)COC(=O)c1sccc1N.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The InChIKey is BBMUKVHPHQTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c9-4-1-2-16-6(4)7(13)15-3-5(12)11-8(10)14/h1-2H,3,9H2,(H3,10,11,12,14).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate has a molecular weight of 243.24 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 61316598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).