ChemFOnt: Showing chemical card for N-carbamoylglutamic Acid (CFc000043207)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:46:10 UTC

Chemfont ID

CFc000043207

Molecule Identification

Common Name

N-carbamoylglutamic Acid

Definition

N-carbamoylglutamic Acid, also known as N-Carbamoylglutamate, is classified as a glutamic acid or a Glutamic acid derivative. Glutamic acids are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-carbamoylglutamic Acid is considered to be soluble (in water) and acidic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
N-Carbamoylglutamate	Generator

Chemical Formula

C₆H₁₀N₂O₅

Average Molecular Weight

190.155

Monoisotopic Molecular Weight

190.05897143

IUPAC Name

2-[(C-hydroxycarbonimidoyl)amino]pentanedioic acid

Traditional Name

2-(C-hydroxycarbonimidoylamino)pentanedioic acid

CAS Registry Number

Not Available

SMILES

OC(=O)CCC(NC(O)=N)C(O)=O

InChI Identifier

InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)

InChI Key

LCQLHJZYVOQKHU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
N-carbamoyl-alpha-amino acid
N-carbamoyl-alpha-amino acid or derivatives
Fatty acid
Dicarboxylic acid or derivatives
Urea
Carbonic acid derivative
Carboxylic acid
Organic oxide
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ureas (CHEBI:86349 )
glutamic acid derivative (CHEBI:86349 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062795)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	1.84 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-2.2	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	-2.9	ChemAxon
pKa (Strongest Basic)	15	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	130.71 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	50.34 m³·mol⁻¹	ChemAxon
Polarizability	16.76 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

HMDB0062795

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

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

86349

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for N-carbamoylglutamic Acid (CFc000043207)

MOL for CFc000043207 (N-carbamoylglutamic Acid)

3D MOL for CFc000043207 (N-carbamoylglutamic Acid)

3D SDF for CFc000043207 (N-carbamoylglutamic Acid)

3D-SDF for CFc000043207 (N-carbamoylglutamic Acid)

PDB for CFc000043207 (N-carbamoylglutamic Acid)

3D PDB for CFc000043207 (N-carbamoylglutamic Acid)

SMILES for CFc000043207 (N-carbamoylglutamic Acid)

INCHI for CFc000043207 (N-carbamoylglutamic Acid)

Structure for CFc000043207 (N-carbamoylglutamic Acid)

3D Structure for CFc000043207 (N-carbamoylglutamic Acid)