Home > Compound List > Compound details
617-65-2 molecular structure
click picture or here to close

2-aminopentanedioic acid

ChemBase ID: 127582
Molecular Formular: C5H9NO4
Molecular Mass: 147.12926
Monoisotopic Mass: 147.05315777
SMILES and InChIs

SMILES:
C(CC(=O)O)C(C(=O)O)N
Canonical SMILES:
OC(=O)CCC(C(=O)O)N
InChI:
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKey:
WHUUTDBJXJRKMK-UHFFFAOYSA-N

Cite this record

CBID:127582 http://www.chembase.cn/molecule-127582.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopentanedioic acid
IUPAC Systematic name
2-Aminopentanedioic acid
IUPAC Traditional name
glutaminsaeure
α-aminoglutarate
Synonyms
(±)-Glutamic Acid
DL-Glu
Glutaminic Acid
NSC 206301
NSC 9967
DL-Glutamic Acid
2-Aminoglutaric acid
Glutamic acid
CAS Number
617-65-2
MDL Number
MFCD00063113
PubChem SID
162221901
PubChem CID
611
CHEBI ID
18237
CHEMBL
276389
Chemspider ID
591
KEGG ID
D04341
Unique Ingredient Identifier
61LJO5I15S
Wikipedia Title
Glutamic_acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8777773  H Acceptors
H Donor LogD (pH = 5.5) -4.4458017 
LogD (pH = 7.4) -6.180975  Log P -3.241447 
Molar Refractivity 31.2877 cm3 Polarizability 12.69048 Å3
Polar Surface Area 100.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.00035g/100g ethanol 25 degC expand Show data source
8.64 g/l (25 °C) in water expand Show data source
Apperance
white crystalline powder expand Show data source
Melting Point
199 °C decomp. expand Show data source
Density
1.4601 (20 °C) expand Show data source
MSDS Link
Download expand Show data source
NFPA704
NFPA 704 diagram
1
1
0
expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - G596955 external link
Glutamic Acid is non-essential amino acid. Its salt form (glutamate) is an important neurotransmitter that plays a key role in long-term potentiation and is important for learning and memory. Glutamic Acid is also a key molecule in cellular metabolism.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • McEntee, W. et al.: Psychopharmacology, 111, 391 (1993)
  • • Manev, H. et al.: Mol. Pharmacol., 36, 106 (1993)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle