(2R)-2-ethyl-2-hydroxybutanedioic acid

C6H10O5 — CID 5280519

IUPAC(2R)-2-ethyl-2-hydroxybutanedioic acid
SMILESCC[C@@](O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1
InChIKeyYVYGHRNLPUMVBU-ZCFIWIBFSA-N
MW162.14 g/mol
LogP-0.31
Rot. Bonds4

About (2R)-2-ethyl-2-hydroxybutanedioic acid

(2R)-2-ethyl-2-hydroxybutanedioic acid (PubChem CID 5280519) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2R)-2-ethyl-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-2-hydroxybutanedioic acid
PubChem CID5280519
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2R)-2-ethyl-2-hydroxybutanedioic acid
SMILESCC[C@@](O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1
InChIKeyYVYGHRNLPUMVBU-ZCFIWIBFSA-N
XLogP-0.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
CID 24997986
CID 24997986
CID 173004565
CID 173004565

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-hydroxybutanedioic acid?
The IUPAC name of (2R)-2-ethyl-2-hydroxybutanedioic acid (CID 5280519) is (2R)-2-ethyl-2-hydroxybutanedioic acid.
What is the SMILES notation for (2R)-2-ethyl-2-hydroxybutanedioic acid?
The canonical SMILES for (2R)-2-ethyl-2-hydroxybutanedioic acid is CC[C@@](O)(CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-2-hydroxybutanedioic acid?
The InChIKey is YVYGHRNLPUMVBU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-hydroxybutanedioic acid?
(2R)-2-ethyl-2-hydroxybutanedioic acid has a molecular weight of 162.14 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-hydroxybutanedioic acid is sourced from PubChem (CID 5280519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).