2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

C13H18N2O4S — CID 103339786

IUPAC2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESC=CCN(CCOC)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O4S/c1-3-6-15(7-8-19-2)13(18)14-11(12(16)17)10-5-4-9-20-10/h3-5,9,11H,1,6-8H2,2H3,(H,14,18)(H,16,17)
InChIKeyATZXNCAQTCNLHU-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.72
Rot. Bonds8

About 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid

2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 103339786) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID103339786
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
SMILESC=CCN(CCOC)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O4S/c1-3-6-15(7-8-19-2)13(18)14-11(12(16)17)10-5-4-9-20-10/h3-5,9,11H,1,6-8H2,2H3,(H,14,18)(H,16,17)
InChIKeyATZXNCAQTCNLHU-UHFFFAOYSA-N
XLogP1.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid (CID 103339786) is 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is C=CCN(CCOC)C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is ATZXNCAQTCNLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-6-15(7-8-19-2)13(18)14-11(12(16)17)10-5-4-9-20-10/h3-5,9,11H,1,6-8H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid?
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 298.36 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 103339786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).