(2S)-2-hydroxy-2-methylbutanoic acid

C5H10O3 — CID 816786

IUPAC(2S)-2-hydroxy-2-methylbutanoic acid
SMILESCC[C@](C)(O)C(=O)O
InChIInChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
InChIKeyMBIQENSCDNJOIY-YFKPBYRVSA-N
MW118.13 g/mol
LogP0.23
Rot. Bonds2

About (2S)-2-hydroxy-2-methylbutanoic acid

(2S)-2-hydroxy-2-methylbutanoic acid (PubChem CID 816786) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methylbutanoic acid
PubChem CID816786
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2S)-2-hydroxy-2-methylbutanoic acid
SMILESCC[C@](C)(O)C(=O)O
InChIInChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
InChIKeyMBIQENSCDNJOIY-YFKPBYRVSA-N
XLogP0.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.23
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-methylbutanoic acid?
The IUPAC name of (2S)-2-hydroxy-2-methylbutanoic acid (CID 816786) is (2S)-2-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-methylbutanoic acid?
The canonical SMILES for (2S)-2-hydroxy-2-methylbutanoic acid is CC[C@](C)(O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-2-methylbutanoic acid?
The InChIKey is MBIQENSCDNJOIY-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methylbutanoic acid?
(2S)-2-hydroxy-2-methylbutanoic acid has a molecular weight of 118.13 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 816786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).