sodium 4-hydroxy-2-methylbutanoate

C5H9NaO3 — CID 23695196

IUPACsodium 4-hydroxy-2-methylbutanoate
SMILESCC(CCO)C(=O)[O-].[Na+]
InChIInChI=1S/C5H10O3.Na/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyPLTXIYNOGPMDEO-UHFFFAOYSA-M
MW140.11 g/mol
LogP-4.24
Rot. Bonds3

About sodium 4-hydroxy-2-methylbutanoate

sodium 4-hydroxy-2-methylbutanoate (PubChem CID 23695196) has the molecular formula C5H9NaO3 and a molecular weight of 140.11 g/mol. Its IUPAC name is sodium 4-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namesodium 4-hydroxy-2-methylbutanoate
PubChem CID23695196
Molecular FormulaC5H9NaO3
Molecular Weight140.11 g/mol
Exact Mass140.04
IUPAC Namesodium 4-hydroxy-2-methylbutanoate
SMILESCC(CCO)C(=O)[O-].[Na+]
InChIInChI=1S/C5H10O3.Na/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyPLTXIYNOGPMDEO-UHFFFAOYSA-M
XLogP-4.24
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 5-4.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

magnesium bis(2-methylpentanoate)
CID 140813982
lithium 2-methylpentanoate
CID 122554466
(2R)-4-azaniumyl-2-methylbutanoate
CID 6954860
(2R)-2-methylhexanoate
CID 6999857
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
copper bis(2-methylhexanoate)
CID 19768945
2-methylbutanoate
CID 91073357
dipotassium;2-methylhexanedioate
CID 88781923
6-azaniumyl-2-methylhexanoate
CID 58988616
azanium 4-hydroxy-2-sulfanylbutanoate
CID 139931413
magnesium bis(2-methylnonanoate)
CID 175226104

Frequently Asked Questions

What is the IUPAC name of sodium 4-hydroxy-2-methylbutanoate?
The IUPAC name of sodium 4-hydroxy-2-methylbutanoate (CID 23695196) is sodium 4-hydroxy-2-methylbutanoate.
What is the SMILES notation for sodium 4-hydroxy-2-methylbutanoate?
The canonical SMILES for sodium 4-hydroxy-2-methylbutanoate is CC(CCO)C(=O)[O-].[Na+].
What is the InChIKey of sodium 4-hydroxy-2-methylbutanoate?
The InChIKey is PLTXIYNOGPMDEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O3.Na/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 4-hydroxy-2-methylbutanoate?
sodium 4-hydroxy-2-methylbutanoate has a molecular weight of 140.11 g/mol, XLogP of -4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-hydroxy-2-methylbutanoate is sourced from PubChem (CID 23695196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).