2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid

C9H11N3O5S — CID 83203568

IUPAC2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESNC(=O)OCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H11N3O5S/c10-8(15)17-3-2-11-9(16)12-6-5(7(13)14)1-4-18-6/h1,4H,2-3H2,(H2,10,15)(H,13,14)(H2,11,12,16)
InChIKeyQANUNNWSJUMUPQ-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid

2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 83203568) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID83203568
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC Name2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESNC(=O)OCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H11N3O5S/c10-8(15)17-3-2-11-9(16)12-6-5(7(13)14)1-4-18-6/h1,4H,2-3H2,(H2,10,15)(H,13,14)(H2,11,12,16)
InChIKeyQANUNNWSJUMUPQ-UHFFFAOYSA-N
XLogP0.66
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid 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-(2-ethoxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113875
2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114663
2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
CID 107318257
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114576
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
CID 113465789
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106049277
2-(3-pyrrolidin-1-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113931
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-[3-(methanesulfonamido)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106340230

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid (CID 83203568) is 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid is NC(=O)OCCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is QANUNNWSJUMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5S/c10-8(15)17-3-2-11-9(16)12-6-5(7(13)14)1-4-18-6/h1,4H,2-3H2,(H2,10,15)(H,13,14)(H2,11,12,16).
What are the key properties of 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid?
2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 273.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 83203568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).