2-(1,4-benzodioxin-3-ylamino)acetic acid

C10H9NO4 — CID 23180365

IUPAC2-(1,4-benzodioxin-3-ylamino)acetic acid
SMILESO=C(O)CNC1=COc2ccccc2O1
InChIInChI=1S/C10H9NO4/c12-10(13)5-11-9-6-14-7-3-1-2-4-8(7)15-9/h1-4,6,11H,5H2,(H,12,13)
InChIKeyRYPHRPNYFINRDA-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.93
Rot. Bonds3

About 2-(1,4-benzodioxin-3-ylamino)acetic acid

2-(1,4-benzodioxin-3-ylamino)acetic acid (PubChem CID 23180365) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(1,4-benzodioxin-3-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1,4-benzodioxin-3-ylamino)acetic acid
PubChem CID23180365
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-(1,4-benzodioxin-3-ylamino)acetic acid
SMILESO=C(O)CNC1=COc2ccccc2O1
InChIInChI=1S/C10H9NO4/c12-10(13)5-11-9-6-14-7-3-1-2-4-8(7)15-9/h1-4,6,11H,5H2,(H,12,13)
InChIKeyRYPHRPNYFINRDA-UHFFFAOYSA-N
XLogP0.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-benzodioxin-3-ylamino)acetic 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-(1,4-benzodioxin-3-ylamino)acetic acid?
The IUPAC name of 2-(1,4-benzodioxin-3-ylamino)acetic acid (CID 23180365) is 2-(1,4-benzodioxin-3-ylamino)acetic acid.
What is the SMILES notation for 2-(1,4-benzodioxin-3-ylamino)acetic acid?
The canonical SMILES for 2-(1,4-benzodioxin-3-ylamino)acetic acid is O=C(O)CNC1=COc2ccccc2O1.
What is the InChIKey of 2-(1,4-benzodioxin-3-ylamino)acetic acid?
The InChIKey is RYPHRPNYFINRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-10(13)5-11-9-6-14-7-3-1-2-4-8(7)15-9/h1-4,6,11H,5H2,(H,12,13).
What are the key properties of 2-(1,4-benzodioxin-3-ylamino)acetic acid?
2-(1,4-benzodioxin-3-ylamino)acetic acid has a molecular weight of 207.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-benzodioxin-3-ylamino)acetic acid is sourced from PubChem (CID 23180365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).