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

C6H8O7 — CID 15842075

IUPAC2-hydroxypropane-1,1,2-tricarboxylic acid
SMILESCC(O)(C(=O)O)C(C(=O)O)C(=O)O
InChIInChI=1S/C6H8O7/c1-6(13,5(11)12)2(3(7)8)4(9)10/h2,13H,1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyNDRYBRYSNAKOHF-UHFFFAOYSA-N
MW192.12 g/mol
LogP-1.39
Rot. Bonds4

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

2-hydroxypropane-1,1,2-tricarboxylic acid (PubChem CID 15842075) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is 2-hydroxypropane-1,1,2-tricarboxylic acid.

Molecular Properties

Compound Name2-hydroxypropane-1,1,2-tricarboxylic acid
PubChem CID15842075
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name2-hydroxypropane-1,1,2-tricarboxylic acid
SMILESCC(O)(C(=O)O)C(C(=O)O)C(=O)O
InChIInChI=1S/C6H8O7/c1-6(13,5(11)12)2(3(7)8)4(9)10/h2,13H,1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyNDRYBRYSNAKOHF-UHFFFAOYSA-N
XLogP-1.39
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
CID 5255070
2-bromo-2-hydroxypropanoic acid
CID 88707429
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid
CID 175068957
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-methylhexanoic acid
CID 173086648
(2R,3S)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026554
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026555
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid
CID 165346508
2-carbonofluoridoyl-3,3-dimethylbutanoic acid
CID 150820895
(2S)-2-hydroxy-2,3-dimethyl-4-methylidenepentanedioic acid
CID 89306236

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,1,2-tricarboxylic acid?
The IUPAC name of 2-hydroxypropane-1,1,2-tricarboxylic acid (CID 15842075) is 2-hydroxypropane-1,1,2-tricarboxylic acid.
What is the SMILES notation for 2-hydroxypropane-1,1,2-tricarboxylic acid?
The canonical SMILES for 2-hydroxypropane-1,1,2-tricarboxylic acid is CC(O)(C(=O)O)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,1,2-tricarboxylic acid?
The InChIKey is NDRYBRYSNAKOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7/c1-6(13,5(11)12)2(3(7)8)4(9)10/h2,13H,1H3,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypropane-1,1,2-tricarboxylic acid?
2-hydroxypropane-1,1,2-tricarboxylic acid has a molecular weight of 192.12 g/mol, XLogP of -1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,1,2-tricarboxylic acid is sourced from PubChem (CID 15842075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).