3,3,3-trihydroxypropanoic acid

C3H6O5 — CID 18764728

IUPAC3,3,3-trihydroxypropanoic acid
SMILESO=C(O)CC(O)(O)O
InChIInChI=1S/C3H6O5/c4-2(5)1-3(6,7)8/h6-8H,1H2,(H,4,5)
InChIKeyJPRONANUKIXQSE-UHFFFAOYSA-N
MW122.08 g/mol
LogP-1.91
Rot. Bonds2

About 3,3,3-trihydroxypropanoic acid

3,3,3-trihydroxypropanoic acid (PubChem CID 18764728) has the molecular formula C3H6O5 and a molecular weight of 122.08 g/mol. Its IUPAC name is 3,3,3-trihydroxypropanoic acid.

Molecular Properties

Compound Name3,3,3-trihydroxypropanoic acid
PubChem CID18764728
Molecular FormulaC3H6O5
Molecular Weight122.08 g/mol
Exact Mass122.02
IUPAC Name3,3,3-trihydroxypropanoic acid
SMILESO=C(O)CC(O)(O)O
InChIInChI=1S/C3H6O5/c4-2(5)1-3(6,7)8/h6-8H,1H2,(H,4,5)
InChIKeyJPRONANUKIXQSE-UHFFFAOYSA-N
XLogP-1.91
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3,3-trihydroxypropanoic 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 3,3,3-trihydroxypropanoic acid?
The IUPAC name of 3,3,3-trihydroxypropanoic acid (CID 18764728) is 3,3,3-trihydroxypropanoic acid.
What is the SMILES notation for 3,3,3-trihydroxypropanoic acid?
The canonical SMILES for 3,3,3-trihydroxypropanoic acid is O=C(O)CC(O)(O)O.
What is the InChIKey of 3,3,3-trihydroxypropanoic acid?
The InChIKey is JPRONANUKIXQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5/c4-2(5)1-3(6,7)8/h6-8H,1H2,(H,4,5).
What are the key properties of 3,3,3-trihydroxypropanoic acid?
3,3,3-trihydroxypropanoic acid has a molecular weight of 122.08 g/mol, XLogP of -1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trihydroxypropanoic acid is sourced from PubChem (CID 18764728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).