ID: ALA3921386

Max Phase: Preclinical

Molecular Formula: C3H8NNaO4

Molecular Weight: 145.09

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC(=O)[O-].N.O=CO.[Na+]

Standard InChI:  InChI=1S/C2H4O2.CH2O2.H3N.Na/c1-2(3)4;2-1-3;;/h1H3,(H,3,4);1H,(H,2,3);1H3;/q;;;+1/p-1

Standard InChI Key:  MMHLYXUIDGOFGD-UHFFFAOYSA-M

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 145.09

Molecular Weight (Monoisotopic): 145.0351

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1.  (2001)  Identification of modulators of GPR41 or GPR42 activity, 

Source

Source(1):

• Patent Bioactivity Data