ChemFOnt: Showing chemical card for L-ornithinium(2+) (CFc000043066)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:45:56 UTC

Chemfont ID

CFc000043066

Molecule Identification

Common Name

L-ornithinium(2+)

Definition

L-ornithinium(2+), also known as L-Ornithine dication, is classified as a member of the L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
L-Ornithine dication	ChEBI
Ornithine hydrochloride, (DL)-isomer	MeSH
Ornithine hydrochloride, (L)-isomer	MeSH
Ornithine monoacetate, (L)-isomer	MeSH
Ornithine sulfate (1:1), (L)-isomer	MeSH
Ornithine monohydrobromide, (L)-isomer	MeSH
Ornithine monohydrochloride, (D)-isomer	MeSH
Ornithine monohydrochloride, (DL)-isomer	MeSH
Ornithine phosphate (1:1), (L)-isomer	MeSH
Ornithine, (DL)-isomer	MeSH
2,5 Diaminopentanoic acid	MeSH
2,5-Diaminopentanoic acid	MeSH
Ornithine dihydrochloride, (L)-isomer	MeSH
Ornithine, (L)-isomer	MeSH
Ornithine hydrochloride, (D)-isomer	MeSH
Ornithine, (D)-isomer	MeSH
ORNITHINE	HMDB

Chemical Formula

C₅H₁₄N₂O₂

Average Molecular Weight

134.178

Monoisotopic Molecular Weight

134.104430539

IUPAC Name

(1S)-1-carboxybutane-1,4-bis(aminium)

Traditional Name

L-ornithinium(2+)

CAS Registry Number

Not Available

SMILES

[H][C@]([NH3+])(CCC[NH3+])C(O)=O

InChI Identifier

InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2/t4-/m0/s1

InChI Key

AHLPHDHHMVZTML-BYPYZUCNSA-P

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Fatty acid
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Organic cation
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ornithinium(2+) (CHEBI:44667 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062654)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	2.31 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-3.7	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	2.67	ChemAxon
pKa (Strongest Basic)	10.29	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	92.58 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	55.79 m³·mol⁻¹	ChemAxon
Polarizability	14.57 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0062654

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Ornithine

METLIN ID

Not Available

PubChem Compound

449468

PDB ID

Not Available

ChEBI ID

44667

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for L-ornithinium(2+) (CFc000043066)

MOL for CFc000043066 (L-ornithinium(2+))

3D MOL for CFc000043066 (L-ornithinium(2+))

3D SDF for CFc000043066 (L-ornithinium(2+))

3D-SDF for CFc000043066 (L-ornithinium(2+))

PDB for CFc000043066 (L-ornithinium(2+))

3D PDB for CFc000043066 (L-ornithinium(2+))

SMILES for CFc000043066 (L-ornithinium(2+))

INCHI for CFc000043066 (L-ornithinium(2+))

Structure for CFc000043066 (L-ornithinium(2+))

3D Structure for CFc000043066 (L-ornithinium(2+))