2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid

C11H12N2O3S — CID 106108525

IUPAC2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid
SMILESCOC(CNc1nccc2sccc12)C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-16-8(11(14)15)6-13-10-7-3-5-17-9(7)2-4-12-10/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyLZZSFODGAKNPAW-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.81
Rot. Bonds5

About 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid

2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid (PubChem CID 106108525) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid
PubChem CID106108525
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid
SMILESCOC(CNc1nccc2sccc12)C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-16-8(11(14)15)6-13-10-7-3-5-17-9(7)2-4-12-10/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyLZZSFODGAKNPAW-UHFFFAOYSA-N
XLogP1.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid (CID 106108525) is 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid is COC(CNc1nccc2sccc12)C(=O)O.
What is the InChIKey of 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid?
The InChIKey is LZZSFODGAKNPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-16-8(11(14)15)6-13-10-7-3-5-17-9(7)2-4-12-10/h2-5,8H,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid?
2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid has a molecular weight of 252.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid is sourced from PubChem (CID 106108525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).