2-hydroxypropanoic acid;propanedioic acid;propanoic acid

C9H16O9 — CID 172861837

IUPAC2-hydroxypropanoic acid;propanedioic acid;propanoic acid
SMILESCC(O)C(=O)O.CCC(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C3H4O4.C3H6O3.C3H6O2/c4-2(5)1-3(6)7;1-2(4)3(5)6;1-2-3(4)5/h1H2,(H,4,5)(H,6,7);2,4H,1H3,(H,5,6);2H2,1H3,(H,4,5)
InChIKeyZLNDHXOOMNUUCQ-UHFFFAOYSA-N
MW268.22 g/mol
LogP-0.52
Rot. Bonds4

About 2-hydroxypropanoic acid;propanedioic acid;propanoic acid

2-hydroxypropanoic acid;propanedioic acid;propanoic acid (PubChem CID 172861837) has the molecular formula C9H16O9 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;propanedioic acid;propanoic acid.

Molecular Properties

Compound Name2-hydroxypropanoic acid;propanedioic acid;propanoic acid
PubChem CID172861837
Molecular FormulaC9H16O9
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC Name2-hydroxypropanoic acid;propanedioic acid;propanoic acid
SMILESCC(O)C(=O)O.CCC(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C3H4O4.C3H6O3.C3H6O2/c4-2(5)1-3(6)7;1-2(4)3(5)6;1-2-3(4)5/h1H2,(H,4,5)(H,6,7);2,4H,1H3,(H,5,6);2H2,1H3,(H,4,5)
InChIKeyZLNDHXOOMNUUCQ-UHFFFAOYSA-N
XLogP-0.52
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-hydroxypropanoic acid;propanedioic acid;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

Related Compounds

2-hydroxypropanoic acid;propanedioic acid
CID 87923632
2-hydroxypropanoic acid;propanoic acid
CID 175004384
2-hydroxypropanoic acid
CID 87075455
1-(methylamino)ethanol;propanoic acid
CID 173051443
butanedioic acid;(Z)-but-2-enedioic acid;2-hydroxypropanoic acid;propanedioic acid
CID 173365167
2-methylpropanoic acid;propanoic acid;zirconium
CID 175540566
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;propanedioic acid;propanoic acid?
The IUPAC name of 2-hydroxypropanoic acid;propanedioic acid;propanoic acid (CID 172861837) is 2-hydroxypropanoic acid;propanedioic acid;propanoic acid.
What is the SMILES notation for 2-hydroxypropanoic acid;propanedioic acid;propanoic acid?
The canonical SMILES for 2-hydroxypropanoic acid;propanedioic acid;propanoic acid is CC(O)C(=O)O.CCC(=O)O.O=C(O)CC(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;propanedioic acid;propanoic acid?
The InChIKey is ZLNDHXOOMNUUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.C3H6O3.C3H6O2/c4-2(5)1-3(6)7;1-2(4)3(5)6;1-2-3(4)5/h1H2,(H,4,5)(H,6,7);2,4H,1H3,(H,5,6);2H2,1H3,(H,4,5).
What are the key properties of 2-hydroxypropanoic acid;propanedioic acid;propanoic acid?
2-hydroxypropanoic acid;propanedioic acid;propanoic acid has a molecular weight of 268.22 g/mol, XLogP of -0.52, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;propanedioic acid;propanoic acid is sourced from PubChem (CID 172861837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).