(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid

C5H10O3 — CID 169441958

IUPAC(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid
SMILES[2H]C([2H])([2H])[C@H](C(=O)O)[C@H](C)O
InChIInChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m0/s1/i1D3
InChIKeyVEXDRERIMPLZLU-YWIBUFAHSA-N
MW121.15 g/mol
LogP0.09
Rot. Bonds3

About (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid

(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid (PubChem CID 169441958) has the molecular formula C5H10O3 and a molecular weight of 121.15 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid
PubChem CID169441958
Molecular FormulaC5H10O3
Molecular Weight121.15 g/mol
Exact Mass121.08
IUPAC Name(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid
SMILES[2H]C([2H])([2H])[C@H](C(=O)O)[C@H](C)O
InChIInChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m0/s1/i1D3
InChIKeyVEXDRERIMPLZLU-YWIBUFAHSA-N
XLogP0.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1,2-dihydroxypropyl)propanedioic acid
CID 21198499
2-hydroxypropanoic acid
CID 87075455
azane;2-hydroxypropanoic acid;oxotitanium
CID 175450174
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805
CID 131877347
CID 131877347
bis(2-hydroxypropanoic acid);titanium
CID 173417954
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid?
The IUPAC name of (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid (CID 169441958) is (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid?
The canonical SMILES for (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid is [2H]C([2H])([2H])[C@H](C(=O)O)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid?
The InChIKey is VEXDRERIMPLZLU-YWIBUFAHSA-N. The full InChI is InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m0/s1/i1D3.
What are the key properties of (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid?
(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid has a molecular weight of 121.15 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid is sourced from PubChem (CID 169441958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).