4-hydroxy-2-methylbutanoic acid;hydrochloride

C5H11ClO3 — CID 90219221

IUPAC4-hydroxy-2-methylbutanoic acid;hydrochloride
SMILESCC(CCO)C(=O)O.Cl
InChIInChI=1S/C5H10O3.ClH/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);1H
InChIKeyZNIPDIWTQSIAIT-UHFFFAOYSA-N
MW154.59 g/mol
LogP0.51
Rot. Bonds3

About 4-hydroxy-2-methylbutanoic acid;hydrochloride

4-hydroxy-2-methylbutanoic acid;hydrochloride (PubChem CID 90219221) has the molecular formula C5H11ClO3 and a molecular weight of 154.59 g/mol. Its IUPAC name is 4-hydroxy-2-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-2-methylbutanoic acid;hydrochloride
PubChem CID90219221
Molecular FormulaC5H11ClO3
Molecular Weight154.59 g/mol
Exact Mass154.04
IUPAC Name4-hydroxy-2-methylbutanoic acid;hydrochloride
SMILESCC(CCO)C(=O)O.Cl
InChIInChI=1S/C5H10O3.ClH/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);1H
InChIKeyZNIPDIWTQSIAIT-UHFFFAOYSA-N
XLogP0.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.59
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-2-methylhexanoic acid
CID 19873756
calcium;hydride;2-methylpentanedioic acid
CID 173414295
sodium;4-chloro-2-methylbutanoic acid;hydride
CID 174487019
CID 159174397
CID 159174397
4-amino-2-methylbutanoic acid
CID 3759025
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
calcium;hydride;2-methylhexanoic acid
CID 173227921
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
4-hydroxy-2-methylbutanehydrazide;hydrochloride
CID 146268568
sodium 4-hydroxy-2-methylbutanoate
CID 23695196

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylbutanoic acid;hydrochloride?
The IUPAC name of 4-hydroxy-2-methylbutanoic acid;hydrochloride (CID 90219221) is 4-hydroxy-2-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-hydroxy-2-methylbutanoic acid;hydrochloride?
The canonical SMILES for 4-hydroxy-2-methylbutanoic acid;hydrochloride is CC(CCO)C(=O)O.Cl.
What is the InChIKey of 4-hydroxy-2-methylbutanoic acid;hydrochloride?
The InChIKey is ZNIPDIWTQSIAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.ClH/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);1H.
What are the key properties of 4-hydroxy-2-methylbutanoic acid;hydrochloride?
4-hydroxy-2-methylbutanoic acid;hydrochloride has a molecular weight of 154.59 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 90219221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).