(2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid

C6H12O2 — CID 157418219

IUPAC(2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid
SMILES[2H][C@@H](C(=O)O)C([2H])([2H])C([2H])(C)C
InChIInChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i3D2,4D,5D/t4-/m1/s1
InChIKeyFGKJLKRYENPLQH-MDTMZPTKSA-N
MW120.18 g/mol
LogP1.51
Rot. Bonds3

About (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid

(2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid (PubChem CID 157418219) has the molecular formula C6H12O2 and a molecular weight of 120.18 g/mol. Its IUPAC name is (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid
PubChem CID157418219
Molecular FormulaC6H12O2
Molecular Weight120.18 g/mol
Exact Mass120.11
IUPAC Name(2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid
SMILES[2H][C@@H](C(=O)O)C([2H])([2H])C([2H])(C)C
InChIInChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i3D2,4D,5D/t4-/m1/s1
InChIKeyFGKJLKRYENPLQH-MDTMZPTKSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid?
The IUPAC name of (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid (CID 157418219) is (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid?
The canonical SMILES for (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid is [2H][C@@H](C(=O)O)C([2H])([2H])C([2H])(C)C.
What is the InChIKey of (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid?
The InChIKey is FGKJLKRYENPLQH-MDTMZPTKSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i3D2,4D,5D/t4-/m1/s1.
What are the key properties of (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid?
(2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid has a molecular weight of 120.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,4-tetradeuterio-4-methylpentanoic acid is sourced from PubChem (CID 157418219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).