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

C7H8O10 — CID 87350226

IUPAC1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(C(=O)O)C(OC(=O)O)C(=O)O
InChIInChI=1S/C7H8O10/c8-2(9)1-7(16,5(12)13)3(4(10)11)17-6(14)15/h3,16H,1H2,(H,8,9)(H,10,11)(H,12,13)(H,14,15)
InChIKeyGKAONRBYIGLOOS-UHFFFAOYSA-N
MW252.13 g/mol
LogP-1.58
Rot. Bonds6

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

1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 87350226) has the molecular formula C7H8O10 and a molecular weight of 252.13 g/mol. Its IUPAC name is 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID87350226
Molecular FormulaC7H8O10
Molecular Weight252.13 g/mol
Exact Mass252.01
IUPAC Name1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(C(=O)O)C(OC(=O)O)C(=O)O
InChIInChI=1S/C7H8O10/c8-2(9)1-7(16,5(12)13)3(4(10)11)17-6(14)15/h3,16H,1H2,(H,8,9)(H,10,11)(H,12,13)(H,14,15)
InChIKeyGKAONRBYIGLOOS-UHFFFAOYSA-N
XLogP-1.58
TPSA178.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 5-1.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-4-carboxybutanoyl)oxy-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 142646137
1-ethoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 56606822
2-hydroxybutane-1,2,3-tricarboxylic acid
CID 160778826
dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
CID 173084487
2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
CID 87634826
2-hydroxy-2-(2-methoxy-1-octadecanoyloxy-2-oxoethyl)butanedioic acid
CID 87449557
2-(4-ethoxy-4-oxobutan-2-yl)-2-hydroxybutanedioic acid
CID 175499703
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
2-[1-(1,3-dimethoxy-1,3-dioxopropan-2-yl)oxy-1-oxobutan-2-yl]-2-hydroxybutanedioic acid
CID 87385740
4,5-bis[bis(carboxymethyl)amino]-2-hydroxypentane-1,2,3-tricarboxylic acid
CID 54200980
1-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 91330057
2-hydroxy-4-(oxiran-2-yl)butane-1,2,3-tricarboxylic acid
CID 154020885

Frequently Asked Questions

What is the IUPAC name of 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid (CID 87350226) is 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(C(=O)O)C(OC(=O)O)C(=O)O.
What is the InChIKey of 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is GKAONRBYIGLOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O10/c8-2(9)1-7(16,5(12)13)3(4(10)11)17-6(14)15/h3,16H,1H2,(H,8,9)(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid?
1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 252.13 g/mol, XLogP of -1.58, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 87350226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).