4-hydroxybutane-1,2,4-tricarboxylic acid

C7H10O7 — CID 54238219

IUPAC4-hydroxybutane-1,2,4-tricarboxylic acid
SMILESO=C(O)CC(CC(O)C(=O)O)C(=O)O
InChIInChI=1S/C7H10O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h3-4,8H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyQOCDERJFTPBSPR-UHFFFAOYSA-N
MW206.15 g/mol
LogP-1.00
Rot. Bonds6

About 4-hydroxybutane-1,2,4-tricarboxylic acid

4-hydroxybutane-1,2,4-tricarboxylic acid (PubChem CID 54238219) has the molecular formula C7H10O7 and a molecular weight of 206.15 g/mol. Its IUPAC name is 4-hydroxybutane-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name4-hydroxybutane-1,2,4-tricarboxylic acid
PubChem CID54238219
Molecular FormulaC7H10O7
Molecular Weight206.15 g/mol
Exact Mass206.04
IUPAC Name4-hydroxybutane-1,2,4-tricarboxylic acid
SMILESO=C(O)CC(CC(O)C(=O)O)C(=O)O
InChIInChI=1S/C7H10O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h3-4,8H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyQOCDERJFTPBSPR-UHFFFAOYSA-N
XLogP-1.00
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trihydroxyheptanedioic acid
CID 167409175
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
2-hydroxybutanedioic acid;iron
CID 174146167
trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
CID 173458635
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
2-[2-(diaminomethylideneamino)propyl]butanedioic acid
CID 118327981
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
(2S)-2-ethylbutanedioic acid
CID 6997245

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutane-1,2,4-tricarboxylic acid?
The IUPAC name of 4-hydroxybutane-1,2,4-tricarboxylic acid (CID 54238219) is 4-hydroxybutane-1,2,4-tricarboxylic acid.
What is the SMILES notation for 4-hydroxybutane-1,2,4-tricarboxylic acid?
The canonical SMILES for 4-hydroxybutane-1,2,4-tricarboxylic acid is O=C(O)CC(CC(O)C(=O)O)C(=O)O.
What is the InChIKey of 4-hydroxybutane-1,2,4-tricarboxylic acid?
The InChIKey is QOCDERJFTPBSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h3-4,8H,1-2H2,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 4-hydroxybutane-1,2,4-tricarboxylic acid?
4-hydroxybutane-1,2,4-tricarboxylic acid has a molecular weight of 206.15 g/mol, XLogP of -1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutane-1,2,4-tricarboxylic acid is sourced from PubChem (CID 54238219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).