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

C9H12N2O4S — CID 63113498

IUPAC2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCOCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-15-4-3-10-9(14)11-7-6(8(12)13)2-5-16-7/h2,5H,3-4H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyMXENJRPCORKZLC-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.21
Rot. Bonds5

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

2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63113498) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63113498
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCOCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-15-4-3-10-9(14)11-7-6(8(12)13)2-5-16-7/h2,5H,3-4H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyMXENJRPCORKZLC-UHFFFAOYSA-N
XLogP1.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid (CID 63113498) is 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid is COCCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is MXENJRPCORKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-15-4-3-10-9(14)11-7-6(8(12)13)2-5-16-7/h2,5H,3-4H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid?
2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63113498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).