CAS 67684-64-4(anhydrous)|trans-(±)-1-Amino-1,3-cyclopentanedicarboxylic acid monohydrate|trans-(±)-ACPD monohydrate|(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid hydrate|(1S,3R)-1-aminocyclop...

Molecular Formula

C₇H₁₃NO₅

Molecular Mass

191.18182

Exact Mass

191.07937252

InChI

InChI=1S/C7H11NO4.H2O/c8-7(6(11)12)2-1-4(3-7)5(9)10;/h4H,1-3,8H2,(H,9,10)(H,11,12);1H2/t4-,7+;/m1./s1

InChIKey

AZRMVYVZWAKHMR-RERZVJIGSA-N

Canonic Smiles

OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O.O

Isomeric Smiles

C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N.O

JChem

Acid pKa

1.8967843

H Acceptors

H Donor

LogD (pH = 5.5)

-3.8816943

LogD (pH = 7.4)

-5.6090703

Log P

-2.6539378

Molar Refractivity

38.6963

Polarizability

15.608209

Polar Surface Area

100.62

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

trans-(±)-1-Amino-1,3-cyclopentanedicarboxylic acid monohydratetrans-(±)-ACPD monohydrate

IUPAC Traditional name

(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid hydrate

IUPAC name

(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid hydrate

PubChem SID

24277952162226039

MDL Number

MFCD11046039

PubChem CID

16218853

Safety Information

Risk Statements

20/21/22

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

GHS Hazard statements

H302-H312-H332

GHS Precautionary statements

P280

German water hazard class

Physical Property

Solubility

H2O: soluble1 mg/mL

Apperance

white solid

Pharmacology Properties

Gene Information

human ... GRM1(2911), GRM2(2912), GRM3(2913), GRM4(2914), GRM5(2915), GRM6(2916), GRM7(2917), GRM8(2918)

Product Information

Purity

≥97% (NMR)

No Data Available

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No Data Available

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Sigma Aldrich

A8063

Biochem/physiol Actions
Agonist at quisqualate metabotropic receptors (GluR1 and GluR5), and at GluR2 and GluR3 receptors, but not at receptors sensitive to AP4

A155

Biochem/physiol Actions
Excitatory amino acid receptor agonist; selective for the metabotropic glutamate receptor subtype.
Other Notes
Note: under IUPAC nomenclature, this compound is designated cis.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

Synonyms

trans-(±)-1-Amino-1,3-cyclopentanedicarboxylic acid monohydratetrans-(±)-ACPD monohydrate

IUPAC Traditional name

(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid hydrate

IUPAC name

(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid hydrate

PubChem SID

24277952162226039

MDL Number

MFCD11046039

PubChem CID

16218853

Safety Information

Risk Statements

20/21/22

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

GHS Hazard statements

H302-H312-H332

GHS Precautionary statements

P280

German water hazard class

Physical Property

Solubility

H2O: soluble1 mg/mL

Apperance

white solid

Pharmacology Properties

Gene Information

human ... GRM1(2911), GRM2(2912), GRM3(2913), GRM4(2914), GRM5(2915), GRM6(2916), GRM7(2917), GRM8(2918)

Product Information

Purity

≥97% (NMR)

Sigma Aldrich

A8063

Biochem/physiol Actions
Agonist at quisqualate metabotropic receptors (GluR1 and GluR5), and at GluR2 and GluR3 receptors, but not at receptors sensitive to AP4

A155

Biochem/physiol Actions
Excitatory amino acid receptor agonist; selective for the metabotropic glutamate receptor subtype.
Other Notes
Note: under IUPAC nomenclature, this compound is designated cis.

No Data Available

Click here to submit data

Molecule

ID:131762