Identification

PhytoHub ID
PHUB000839
Name
Cucurbitine
Systematic Name
Not Available
Synonyms
  • 3-Amino-beta-proline
CAS Number
Not Available
Average Mass
130.147
Monoisotopic Mass
130.07422757
Chemical Formula
C5H10N2O2
IUPAC Name
(3R)-3-aminopyrrolidine-3-carboxylic acid
InChI Key
DWAKXSZUASEUHH-RXMQYKEDSA-N
InChI Identifier
InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m1/s1
SMILES
N[C@@]1(CCNC1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.62e+02 g/l
LogS (ALOGPS)
0.30
LogP (ALOGPS)
-3.19
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
75.35
Refractivity
31.3342
Polarizability
12.653239505926592
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
10.675745589337183
pKa (strongest acidic)
1.693626764089385
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Alkaloids
Sub-class
Pyrrolidine and piperidine alkaloids

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Carboxylic acids and derivatives
Super-class
Organic acids and derivatives
Sub-class
Amino acids, peptides, and analogues
Direct Parent Name
L-alpha-amino acids
Alternative Parent Names
["Amino acids", "Azacyclic compounds", "Carbonyl compounds", "Carboxylic acids", "D-alpha-amino acids", "Dialkylamines", "Hydrocarbon derivatives", "Monoalkylamines", "Monocarboxylic acids and derivatives", "Organic oxides", "Organopnictogen compounds", "Pyrrolidine carboxylic acids"]
External Descriptor Annotations
["non-proteinogenic alpha-amino acid"]
Substituent Names
["Aliphatic heteromonocyclic compound", "Amine", "Amino acid", "Azacycle", "Carbonyl group", "Carboxylic acid", "D-alpha-amino acid", "Hydrocarbon derivative", "L-alpha-amino acid", "Monocarboxylic acid or derivatives", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Pyrrolidine", "Pyrrolidine carboxylic acid", "Pyrrolidine carboxylic acid or derivatives", "Secondary aliphatic amine", "Secondary amine"]

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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