2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid

C7H10O8 — CID 88843175

IUPAC2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(OCO)C(=O)O
InChIInChI=1S/C7H10O8/c8-3-15-7(6(13)14,1-4(9)10)2-5(11)12/h8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyGSRCZJDIBOITPK-UHFFFAOYSA-N
MW222.15 g/mol
LogP-1.27
Rot. Bonds7

About 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid

2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid (PubChem CID 88843175) has the molecular formula C7H10O8 and a molecular weight of 222.15 g/mol. Its IUPAC name is 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
PubChem CID88843175
Molecular FormulaC7H10O8
Molecular Weight222.15 g/mol
Exact Mass222.04
IUPAC Name2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(OCO)C(=O)O
InChIInChI=1S/C7H10O8/c8-3-15-7(6(13)14,1-4(9)10)2-5(11)12/h8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyGSRCZJDIBOITPK-UHFFFAOYSA-N
XLogP-1.27
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic 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-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
CID 57221790
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
CID 173100482
2-(cyanomethoxy)propane-1,2,3-tricarboxylic acid
CID 175228620
magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
CID 173025437
disodium;hydride;2-(1,2,3-tricarboxypropan-2-yloxycarbonyloxy)propane-1,2,3-tricarboxylic acid
CID 175275851
2-butoxypropane-1,2,3-tricarboxylic acid;4-(4-hydroxybutoxy)butan-1-ol
CID 87567102
2-(2-hydroxyethoxy)ethanol;2-methoxypropane-1,2,3-tricarboxylic acid
CID 87565303
2-docos-21-enoxypropane-1,2,3-tricarboxylic acid
CID 101478703
2-(14-methylpentadecoxy)propane-1,2,3-tricarboxylic acid
CID 175054838
2-oxaldehydoyloxypropane-1,2,3-tricarboxylic acid
CID 54454570
potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride
CID 175386311

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid (CID 88843175) is 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid is O=C(O)CC(CC(=O)O)(OCO)C(=O)O.
What is the InChIKey of 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid?
The InChIKey is GSRCZJDIBOITPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O8/c8-3-15-7(6(13)14,1-4(9)10)2-5(11)12/h8H,1-3H2,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid?
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid has a molecular weight of 222.15 g/mol, XLogP of -1.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 88843175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).