2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate

C15H19N3O4S — CID 175191731

IUPAC2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCOCCOC(=O)C(N)CNC(=O)c1cc2nccc(C)c2s1
InChIInChI=1S/C15H19N3O4S/c1-9-3-4-17-11-7-12(23-13(9)11)14(19)18-8-10(16)15(20)22-6-5-21-2/h3-4,7,10H,5-6,8,16H2,1-2H3,(H,18,19)
InChIKeyFPELIGZNMRAZHX-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.85
Rot. Bonds7

About 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate

2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (PubChem CID 175191731) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
PubChem CID175191731
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCOCCOC(=O)C(N)CNC(=O)c1cc2nccc(C)c2s1
InChIInChI=1S/C15H19N3O4S/c1-9-3-4-17-11-7-12(23-13(9)11)14(19)18-8-10(16)15(20)22-6-5-21-2/h3-4,7,10H,5-6,8,16H2,1-2H3,(H,18,19)
InChIKeyFPELIGZNMRAZHX-UHFFFAOYSA-N
XLogP0.85
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (CID 175191731) is 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is COCCOC(=O)C(N)CNC(=O)c1cc2nccc(C)c2s1.
What is the InChIKey of 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The InChIKey is FPELIGZNMRAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-9-3-4-17-11-7-12(23-13(9)11)14(19)18-8-10(16)15(20)22-6-5-21-2/h3-4,7,10H,5-6,8,16H2,1-2H3,(H,18,19).
What are the key properties of 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate has a molecular weight of 337.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 175191731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).