1-hydroxypropane-1,2,3-tricarboxylic acid

C6H8O7 — CID 1198

IUPAC1-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKeyODBLHEXUDAPZAU-UHFFFAOYSA-N
MW192.12 g/mol
LogP-1.39
Rot. Bonds5

About 1-hydroxypropane-1,2,3-tricarboxylic acid

1-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 1198) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is 1-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID1198
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name1-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKeyODBLHEXUDAPZAU-UHFFFAOYSA-N
XLogP-1.39
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-hydroxypropane-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

Citric Acid
CID 311
Citrate
CID 31348
D-Arabinonic acid
CID 122045
2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
CID 22230
1,2,3-Propanetricarboxylic acid, 1,2-dihydroxy-
CID 123908
Ribonic acid
CID 5460677
(+)-D-threo-Isocitric acid
CID 5318532
Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate
CID 19782904
3-Isopropylmalate
CID 5462261
Copper Citrate
CID 61514
Iron(III) citrate hydrate, 98
CID 9881379
Pentaric acid
CID 109475

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 1-hydroxypropane-1,2,3-tricarboxylic acid (CID 1198) is 1-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(C(=O)O)C(O)C(=O)O.
What is the InChIKey of 1-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is ODBLHEXUDAPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13).
What are the key properties of 1-hydroxypropane-1,2,3-tricarboxylic acid?
1-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 192.12 g/mol, XLogP of -1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 1198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).