(3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid

C4H6O5 — CID 101429368

IUPAC(3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid
SMILES[2H]C([2H])(C(=O)O)[C@@]([2H])(O)C(=O)O
InChIInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1/i1D2,2D
InChIKeyBJEPYKJPYRNKOW-MIRRBZTDSA-N
MW137.11 g/mol
LogP-1.09
Rot. Bonds3

About (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid

(3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid (PubChem CID 101429368) has the molecular formula C4H6O5 and a molecular weight of 137.11 g/mol. Its IUPAC name is (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid.

Molecular Properties

Compound Name(3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid
PubChem CID101429368
Molecular FormulaC4H6O5
Molecular Weight137.11 g/mol
Exact Mass137.04
IUPAC Name(3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid
SMILES[2H]C([2H])(C(=O)O)[C@@]([2H])(O)C(=O)O
InChIInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1/i1D2,2D
InChIKeyBJEPYKJPYRNKOW-MIRRBZTDSA-N
XLogP-1.09
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dideuterio-3-methylbutanoic acid
CID 10844347
(2S,3S)-2-amino-2,3-dideuteriobutanedioic acid
CID 25241352
2,3,3-trideuterio-2-hydroxy-3-(4-methylphenyl)propanoic acid
CID 171713808
(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
CID 171370857
2,3-dideuteriobutanedioic acid
CID 11116041
2,2,3,3-tetradeuteriobutanedioic acid
CID 12998487
2-amino-2,3,3,4,4-pentadeuterio(2,5-13C2)pentanedioic acid
CID 51037439
2-amino-3-deuteriobutanedioic acid
CID 119075971
[(2S)-3-carboxy-2-deuterio-2-hydroxypropyl]-trimethylazanium
CID 46216017
2-deuteriopropanoic acid;yttrium
CID 59959349
(2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid
CID 157418219
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid?
The IUPAC name of (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid (CID 101429368) is (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid.
What is the SMILES notation for (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid?
The canonical SMILES for (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid is [2H]C([2H])(C(=O)O)[C@@]([2H])(O)C(=O)O.
What is the InChIKey of (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid?
The InChIKey is BJEPYKJPYRNKOW-MIRRBZTDSA-N. The full InChI is InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1/i1D2,2D.
What are the key properties of (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid?
(3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid has a molecular weight of 137.11 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trideuterio-3-hydroxybutanedioic acid is sourced from PubChem (CID 101429368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).