Home > Compound List > Compound details
6141-27-1 molecular structure
click picture or here to close

(2S,4S)-2-amino-4-methylpentanedioic acid

ChemBase ID: 173746
Molecular Formular: C6H11NO4
Molecular Mass: 161.15584
Monoisotopic Mass: 161.06880784
SMILES and InChIs

SMILES:
[C@@H](C[C@H](N)C(=O)O)(C)C(=O)O
Canonical SMILES:
OC(=O)[C@H](C[C@@H](C(=O)O)N)C
InChI:
InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKey:
KRKRAOXTGDJWNI-IMJSIDKUSA-N

Cite this record

CBID:173746 http://www.chembase.cn/molecule-173746.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,4S)-2-amino-4-methylpentanedioic acid
IUPAC Traditional name
(2S,4S)-2-amino-4-methylpentanedioic acid
Synonyms
(4S)-4-Methyl-L-glutamic Acid
threo-4-Methyl-L-glutamic Acid
L-threo-γ-Methylglutamate
L-threo-γ-Methylglutamic Acid
(2S,4S)-4-Methylglutamic Acid
CAS Number
6141-27-1
PubChem SID
164229656
PubChem CID
3246152

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M311580 external link Add to cart
PubChem 3246152 external link
Data Source Data ID Price
TRC
M311580 external link Add to cart Please log in.
Data Source Data ID
PubChem 3246152 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0136228  H Acceptors
H Donor LogD (pH = 5.5) -3.8308425 
LogD (pH = 7.4) -5.5816407  Log P -2.703642 
Molar Refractivity 35.8622 cm3 Polarizability 14.494345 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
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
151-153°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M311580 external link
A highly selective and potent agonist for metabotropic receptors.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Todeschi, N., et al.: Bioorg. Med. Chem., 5, 335 (1997)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle