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6893-26-1 molecular structure
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(2R)-2-aminopentanedioic acid

ChemBase ID: 2249
Molecular Formular: C5H9NO4
Molecular Mass: 147.12926
Monoisotopic Mass: 147.05315777
SMILES and InChIs

SMILES:
N[C@H](CCC(=O)O)C(=O)O
Canonical SMILES:
OC(=O)CC[C@H](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)/t3-/m1/s1
InChIKey:
WHUUTDBJXJRKMK-GSVOUGTGSA-N

Cite this record

CBID:2249 http://www.chembase.cn/molecule-2249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-aminopentanedioic acid
IUPAC Traditional name
D-glutamic acid
Synonyms
D-2-Aminopentanedioic acid
D-α-Aminoglutaric acid
D-Glu
(R)-2-Aminoglutaric acid
D-Glutamic acid
D-Glutamic Acid
(R)-2-Aminopentanedioic acid
R-(-)-1-Aminopropane-1,3-dicarboxylic acid
(-)-Glutamic Acid
(2R)-2-Aminopentanedioic Acid
(2R)-Glutamic Acid
(R)-(-)-Glutamic Acid
(R)-Glutamic Acid
D-(-)-Glutamic Acid
NSC 77686
D-2-Aminoglutaric acid
H-D-Glu-OH
(2R)-2-aminopentanedioic acid
(R)-2-氨基戊二酸
R-(-)-1-氨基丙烷-1,3-二羧酸
D-谷氨酸
CAS Number
6893-26-1
EC Number
230-000-8
MDL Number
MFCD00063112
Beilstein Number
1723800
Merck Index
144469
PubChem SID
24895031
24872915
46508281
160965702
PubChem CID
23327
33032

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
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 
Log P -3.54  LOG S -0.26 
Solubility (Water) 8.06e+01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
8.88 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand Show data source
Melting Point
~200 °C (dec.) expand Show data source
199°C dec. expand Show data source
200-202 °C (subl.)(lit.) expand Show data source
200-202°C (sublimes) expand Show data source
Optical Rotation
[α]20/D -31±0.5°, c = 5% in 5 M HCl expand Show data source
[α]25/D -31.5°, c = 1 in 6 M HCl expand Show data source
-30 (c=10 in 2N HCl) expand Show data source
Hydrophobicity(logP)
-2.694 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
human ... CCR2(1231) expand Show data source
Purity
≥98% expand Show data source
≥99% expand Show data source
≥99% (TLC) expand Show data source
≥99.0% (NT) expand Show data source
95% expand Show data source
95+% expand Show data source
99+% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
HO2CCH2CH2CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02101796 external link
Purity: 98+%
Crystalline
DrugBank - DB02517 external link
Item Information
Drug Groups experimental
Description A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the central nervous system. [PubChem]
Sigma Aldrich - G105 external link
Biochem/physiol Actions
谷氨酸的非天然异构体。
Sigma Aldrich - G1001 external link
Biochem/physiol Actions
谷氨酸的非天然异构体。
包装
1, 5, 25, 100 g in poly bottle
Sigma Aldrich - 857351 external link
Biochem/physiol Actions
Unnatural isomer of glutamic acid.
Sigma Aldrich - 49460 external link
Biochem/physiol Actions
Unnatural isomer of glutamic acid.
Toronto Research Chemicals - G596965 external link
D-Glutamic Acid is the unnatural (R)-enantiomer of Glutamic Acid, a 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 Aci

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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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