CAS 31137-74-3|(2S,4R)-2-amino-4-methylpentanedioic acid|2s,4r-4-Methylglutamate|(2S,4R)-2-amino-4-methylpentanedioic acid|SYM-2081|(2S,4R)-4-Methylglutamic acid|(2S,4R)-4-Methylglutamic Acid|(4R)-4...

General Information

Structure

Molecular Formula

C₆H₁₁NO₄

Molecular Mass

161.15584

Exact Mass

161.06880784

Charge

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+/m1/s1

InChIKey

KRKRAOXTGDJWNI-DMTCNVIQSA-N

Canonic Smiles

OC(=O)[C@@H](C[C@@H](C(=O)O)N)C

Isomeric Smiles

C[C@H](C[C@H](N)C(=O)O)C(=O)O

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

Polarizability

14.494345

Polar Surface Area

100.62

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-1.93

LOG S

-0.93

Solubility (Water)

2.29e+01 g/l

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

2s,4r-4-MethylglutamateSYM-2081(2S,4R)-4-Methylglutamic acid(2S,4R)-4-Methylglutamic Acid(4R)-4-Methyl-L-glutamic Aciderythro-L-4-Methylglutamic AcidL-erythro-γ-Methylglutamic Acid

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem CID

4693667095883

PubChem SID

4650823816096654824895059

CAS Number

31137-74-3

MDL Number

MFCD00937765

Registration numbers

Properties

Physical Property

Pharmacology Properties

Gene Information

human ... GRIK1(2897), GRIK2(2898), SLC1A1(6505), SLC1A2(6506)rat ... Gria1(50592), Grik1(29559), Grin2a(24409), Slc1a2(29482)

Safety Information

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

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Product Information

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB03425

Drug information: experimental

Sigma Aldrich

G137

Biochem/physiol Actions
Selective and high affinity kainate receptor antagonist.

TRC

M311575

A highly selective and potent agonist for kainate receptors.

Molecule Details

References

PubChem Literature

From Data Sources

• Ta, L.E., et al.: Brain Res., 858, 106 (1997)

• Jones, K.A., et al.: Neuropharmacology, 36, 853 (1997)

• Toms, N.J., et al.: Neuropharmacology, 36, 1483 (1997)

• Shou, L.M., et al.: J. Pharmacol. Exper. Therap., 280, 422 (1997)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Academic Data

Commercial Catalog

Names and Identifiers

IUPAC name

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

Synonyms

2s,4r-4-MethylglutamateSYM-2081(2S,4R)-4-Methylglutamic acid(2S,4R)-4-Methylglutamic Acid(4R)-4-Methyl-L-glutamic Aciderythro-L-4-Methylglutamic AcidL-erythro-γ-Methylglutamic Acid

IUPAC Traditional name

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

Registration numbers

PubChem CID

4693667095883

PubChem SID

4650823816096654824895059

CAS Number

31137-74-3

MDL Number

MFCD00937765

Molecule Details