(2R)-2-hydroxy-2,3-dimethylbutanedioic acid

C6H10O5 — CID 87312032

IUPAC(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
SMILESCC(C(=O)O)[C@@](C)(O)C(=O)O
InChIInChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/t3?,6-/m1/s1
InChIKeyWTIIULQJLZEHGZ-PUOGSPQQSA-N
MW162.14 g/mol
LogP-0.46
Rot. Bonds3

About (2R)-2-hydroxy-2,3-dimethylbutanedioic acid

(2R)-2-hydroxy-2,3-dimethylbutanedioic acid (PubChem CID 87312032) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2R)-2-hydroxy-2,3-dimethylbutanedioic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
PubChem CID87312032
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
SMILESCC(C(=O)O)[C@@](C)(O)C(=O)O
InChIInChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/t3?,6-/m1/s1
InChIKeyWTIIULQJLZEHGZ-PUOGSPQQSA-N
XLogP-0.46
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-hydroxy-2,3-dimethylbutanedioic 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

(2S)-2-hydroxy-2,3-dimethyl-4-methylidenepentanedioic acid
CID 89306236
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
CID 5255070
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-ynoic acid
CID 165346508
(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
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026555
4-hydroxy-3,4-dimethyl-2-oxopentanoic acid
CID 146257384
2-bromo-2-hydroxypropanoic acid
CID 88707429
2-hydroxybutane-1,2,3-tricarboxylic acid
CID 160778826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2,3-dimethylbutanedioic acid?
The IUPAC name of (2R)-2-hydroxy-2,3-dimethylbutanedioic acid (CID 87312032) is (2R)-2-hydroxy-2,3-dimethylbutanedioic acid.
What is the SMILES notation for (2R)-2-hydroxy-2,3-dimethylbutanedioic acid?
The canonical SMILES for (2R)-2-hydroxy-2,3-dimethylbutanedioic acid is CC(C(=O)O)[C@@](C)(O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2,3-dimethylbutanedioic acid?
The InChIKey is WTIIULQJLZEHGZ-PUOGSPQQSA-N. The full InChI is InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/t3?,6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2,3-dimethylbutanedioic acid?
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid has a molecular weight of 162.14 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2,3-dimethylbutanedioic acid is sourced from PubChem (CID 87312032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).