Identification

PhytoHub ID
PHUB002617
Name
hydroxy-p-menth-8-en-7-oic acid glycine II
Systematic Name
2-hydroxy-p-menth-8-en-7-oic acid glycine
Synonyms
  • p-menth-8-en-7-oic acid-2-glycine
CAS Number
Not Available
Average Mass
241.287
Monoisotopic Mass
241.131408096
Chemical Formula
C12H19NO4
IUPAC Name
2-[(carboxymethyl)amino]-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid
InChI Key
FYTKPOBWNNNMOU-UHFFFAOYNA-N
InChI Identifier
InChI=1/C12H19NO4/c1-7(2)8-3-4-9(12(16)17)10(5-8)13-6-11(14)15/h8-10,13H,1,3-6H2,2H3,(H,14,15)(H,16,17)
SMILES
CC(=C)C1CCC(C(C1)NCC(O)=O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
5.46e+00 g/l
LogS (ALOGPS)
-1.65
LogP (ALOGPS)
-0.65
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
5
Polar Surface Area
86.63
Refractivity
61.3538
Polarizability
25.569850468719242
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
11.384729643910491
pKa (strongest acidic)
1.931824466069225
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene hydroxy-p-menth-8-en-7-oic acid glycine IIratNot AvailableunknownNot AvailableNot AvailableNot AvailableC12H19NO4241.131408096 Publications
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