(2S)-2-hydroxy-2,3,3-trimethylbutanoic acid

C7H14O3 — CID 11355550

IUPAC(2S)-2-hydroxy-2,3,3-trimethylbutanoic acid
SMILESCC(C)(C)[C@](C)(O)C(=O)O
InChIInChI=1S/C7H14O3/c1-6(2,3)7(4,10)5(8)9/h10H,1-4H3,(H,8,9)/t7-/m1/s1
InChIKeyVPZUWGSCTZUBFG-SSDOTTSWSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds1

About (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid

(2S)-2-hydroxy-2,3,3-trimethylbutanoic acid (PubChem CID 11355550) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2,3,3-trimethylbutanoic acid
PubChem CID11355550
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S)-2-hydroxy-2,3,3-trimethylbutanoic acid
SMILESCC(C)(C)[C@](C)(O)C(=O)O
InChIInChI=1S/C7H14O3/c1-6(2,3)7(4,10)5(8)9/h10H,1-4H3,(H,8,9)/t7-/m1/s1
InChIKeyVPZUWGSCTZUBFG-SSDOTTSWSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid?
The IUPAC name of (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid (CID 11355550) is (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid?
The canonical SMILES for (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid is CC(C)(C)[C@](C)(O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid?
The InChIKey is VPZUWGSCTZUBFG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2,3)7(4,10)5(8)9/h10H,1-4H3,(H,8,9)/t7-/m1/s1.
What are the key properties of (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid?
(2S)-2-hydroxy-2,3,3-trimethylbutanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2,3,3-trimethylbutanoic acid is sourced from PubChem (CID 11355550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).