3,5-dihydroxy-3-methylpentanoate;tetramethylazanium

C10H23NO4 — CID 175459408

IUPAC3,5-dihydroxy-3-methylpentanoate;tetramethylazanium
SMILESCC(O)(CCO)CC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C6H12O4.C4H12N/c1-6(10,2-3-7)4-5(8)9;1-5(2,3)4/h7,10H,2-4H2,1H3,(H,8,9);1-4H3/q;+1/p-1
InChIKeyGFRLOLBOCYXUAG-UHFFFAOYSA-M
MW221.30 g/mol
LogP-1.42
Rot. Bonds4

About 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium

3,5-dihydroxy-3-methylpentanoate;tetramethylazanium (PubChem CID 175459408) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium.

Molecular Properties

Compound Name3,5-dihydroxy-3-methylpentanoate;tetramethylazanium
PubChem CID175459408
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name3,5-dihydroxy-3-methylpentanoate;tetramethylazanium
SMILESCC(O)(CCO)CC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C6H12O4.C4H12N/c1-6(10,2-3-7)4-5(8)9;1-5(2,3)4/h7,10H,2-4H2,1H3,(H,8,9);1-4H3/q;+1/p-1
InChIKeyGFRLOLBOCYXUAG-UHFFFAOYSA-M
XLogP-1.42
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-3-methylpentanoic acid;ethene
CID 174870453
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
(4S)-1-bromo-4,6-dihydroxy-4-methylhexan-2-one
CID 14831813
(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
CID 87266925
tris(2-hydroxyethyl(trimethyl)azanium);2-hydroxypropane-1,2,3-tricarboxylate
CID 11024
(3R)-3,5-dimethylhex-5-ene-1,3-diol
CID 14831815
(3S)-3-hydroxy-4,4-dimethyl-3-[(trimethylazaniumyl)methyl]pentanoate
CID 162451259
hexadecakis(3,3-dimethylbutanoate);tetrakis(hafnium(4+))
CID 139142532
(3S)-3,5-dihydroxy-3-methylpentanal
CID 131159898
disilver;2-hydroxy-2-methylbutanedioate
CID 23440528
3-(carboxylatomethyl)-3-hydroxypentanedioate
CID 3381253
3-methyl-4-sulfanylbutane-1,3-diol
CID 87233206

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium?
The IUPAC name of 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium (CID 175459408) is 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium.
What is the SMILES notation for 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium?
The canonical SMILES for 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium is CC(O)(CCO)CC(=O)[O-].C[N+](C)(C)C.
What is the InChIKey of 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium?
The InChIKey is GFRLOLBOCYXUAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O4.C4H12N/c1-6(10,2-3-7)4-5(8)9;1-5(2,3)4/h7,10H,2-4H2,1H3,(H,8,9);1-4H3/q;+1/p-1.
What are the key properties of 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium?
3,5-dihydroxy-3-methylpentanoate;tetramethylazanium has a molecular weight of 221.30 g/mol, XLogP of -1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-3-methylpentanoate;tetramethylazanium is sourced from PubChem (CID 175459408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).