azanium 3,4-diethyl-4-hydroxyhexanoate

C10H23NO3 — CID 141037486

IUPACazanium 3,4-diethyl-4-hydroxyhexanoate
SMILESCCC(CC(=O)[O-])C(O)(CC)CC.[NH4+]
InChIInChI=1S/C10H20O3.H3N/c1-4-8(7-9(11)12)10(13,5-2)6-3;/h8,13H,4-7H2,1-3H3,(H,11,12);1H3
InChIKeyVAODOKFVNVURSE-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.08
Rot. Bonds6

About azanium 3,4-diethyl-4-hydroxyhexanoate

azanium 3,4-diethyl-4-hydroxyhexanoate (PubChem CID 141037486) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is azanium 3,4-diethyl-4-hydroxyhexanoate.

Molecular Properties

Compound Nameazanium 3,4-diethyl-4-hydroxyhexanoate
PubChem CID141037486
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Nameazanium 3,4-diethyl-4-hydroxyhexanoate
SMILESCCC(CC(=O)[O-])C(O)(CC)CC.[NH4+]
InChIInChI=1S/C10H20O3.H3N/c1-4-8(7-9(11)12)10(13,5-2)6-3;/h8,13H,4-7H2,1-3H3,(H,11,12);1H3
InChIKeyVAODOKFVNVURSE-UHFFFAOYSA-N
XLogP1.08
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
azanium 3-(hydroxymethyl)pentanoate
CID 140566748
magnesium bis(3-hydroxypentanoate)
CID 164775085
(3S)-3-azaniumylpentanoate
CID 25417383
dipotassium;2-ethylbutanedioate
CID 172823194
3-hydroxy-6-methyloctanoate
CID 23176792
3-(trimethylazaniumyl)pentanoate
CID 141479827
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
sodium 3-ethyl-4-oxopentanoate
CID 158418112
6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
CID 23616922
3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417

Frequently Asked Questions

What is the IUPAC name of azanium 3,4-diethyl-4-hydroxyhexanoate?
The IUPAC name of azanium 3,4-diethyl-4-hydroxyhexanoate (CID 141037486) is azanium 3,4-diethyl-4-hydroxyhexanoate.
What is the SMILES notation for azanium 3,4-diethyl-4-hydroxyhexanoate?
The canonical SMILES for azanium 3,4-diethyl-4-hydroxyhexanoate is CCC(CC(=O)[O-])C(O)(CC)CC.[NH4+].
What is the InChIKey of azanium 3,4-diethyl-4-hydroxyhexanoate?
The InChIKey is VAODOKFVNVURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.H3N/c1-4-8(7-9(11)12)10(13,5-2)6-3;/h8,13H,4-7H2,1-3H3,(H,11,12);1H3.
What are the key properties of azanium 3,4-diethyl-4-hydroxyhexanoate?
azanium 3,4-diethyl-4-hydroxyhexanoate has a molecular weight of 205.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 3,4-diethyl-4-hydroxyhexanoate is sourced from PubChem (CID 141037486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).