sodium 3-hydroxy-2-methoxybutanoate

C5H9NaO4 — CID 73426627

IUPACsodium 3-hydroxy-2-methoxybutanoate
SMILESCOC(C(=O)[O-])C(C)O.[Na+]
InChIInChI=1S/C5H10O4.Na/c1-3(6)4(9-2)5(7)8;/h3-4,6H,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyKGUCIJLTHZOGSJ-UHFFFAOYSA-M
MW156.11 g/mol
LogP-4.86
Rot. Bonds3

About sodium 3-hydroxy-2-methoxybutanoate

sodium 3-hydroxy-2-methoxybutanoate (PubChem CID 73426627) has the molecular formula C5H9NaO4 and a molecular weight of 156.11 g/mol. Its IUPAC name is sodium 3-hydroxy-2-methoxybutanoate.

Molecular Properties

Compound Namesodium 3-hydroxy-2-methoxybutanoate
PubChem CID73426627
Molecular FormulaC5H9NaO4
Molecular Weight156.11 g/mol
Exact Mass156.04
IUPAC Namesodium 3-hydroxy-2-methoxybutanoate
SMILESCOC(C(=O)[O-])C(C)O.[Na+]
InChIInChI=1S/C5H10O4.Na/c1-3(6)4(9-2)5(7)8;/h3-4,6H,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyKGUCIJLTHZOGSJ-UHFFFAOYSA-M
XLogP-4.86
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 5-4.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bismuth tris(2-hydroxy-2-methoxyacetate)
CID 22600203
4-hydroxy-3-methoxy-2-methylidenepentanoic acid
CID 88919690
sodium;pentakis(2-hydroxypropanoate);thorium(4+)
CID 159864305
(2S,3S)-2,3-di(propan-2-yloxy)butanedioate
CID 91756441
2-hydroxy-3-(2-methoxypropoxy)butanedioate
CID 18717532
2-hydroxypropanoate;oxoazanium;acetate
CID 140813979
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
sodium;acetic acid;propan-2-ol;acetate
CID 161389627
2-hydroxypropanoate;iridium(3+);acetate
CID 157323915
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856

Frequently Asked Questions

What is the IUPAC name of sodium 3-hydroxy-2-methoxybutanoate?
The IUPAC name of sodium 3-hydroxy-2-methoxybutanoate (CID 73426627) is sodium 3-hydroxy-2-methoxybutanoate.
What is the SMILES notation for sodium 3-hydroxy-2-methoxybutanoate?
The canonical SMILES for sodium 3-hydroxy-2-methoxybutanoate is COC(C(=O)[O-])C(C)O.[Na+].
What is the InChIKey of sodium 3-hydroxy-2-methoxybutanoate?
The InChIKey is KGUCIJLTHZOGSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O4.Na/c1-3(6)4(9-2)5(7)8;/h3-4,6H,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 3-hydroxy-2-methoxybutanoate?
sodium 3-hydroxy-2-methoxybutanoate has a molecular weight of 156.11 g/mol, XLogP of -4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxy-2-methoxybutanoate is sourced from PubChem (CID 73426627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).