Basic information
- CAS
1069-48-3- Standard SMILES
C=CCC(N)C(=O)O- InChIKey
WNNNWFKQCKFSDK-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Overview
Allylglycine is a glycine derivative that is glycine substituted by a prop-1-en-3-yl group at position 2. It has a role as an EC 4.1.1.15 (glutamate decarboxylase) inhibitor. It is a glycine derivative, an alpha-amino acid and an olefinic compound.
Names & identifiers
- Preferred name
- 2-Amino-4-Pentenoic Acid
- IUPAC
- 2-aminopent-4-enoic acid
- English name
- DL-Allylglycine
- Molecular formula
- C5H9NO2
- Molecular weight
- 115.13
Names & synonyms
7685-44-12-Amino-4-pentenoic acidALLYLGLYCINE4-Pentenoic acid, 2-amino-DTXSID701313217RefChem:110909DTXCID20982091231-689-82-aminopent-4-enoic acidDL-AllylglycineDl-2-Amino-4-Pentenoic Acid1069-48-3
Show more names
H-D-ALGLY-OHD-C-ALLYLGLYCINEH-D-GLY(ALLYL)-OHH-ALLYL-D-GLYCINE3-VINYL-D-ALANINED-ALPHA-ALLYL-GLYRARECHEM BK PT 0252D-ALPHA-ALLYL-GLYCINE2-aminopent-4-enoicaci
DL-2-Allylglycinedl-c-AllylglycineMFCD00063103DL-2-Aminopent-4-enoic acid4-Pentenoic acid, 2-amino-, (+/-)-H-DL-Allyl-Gly-OHEINECS 231-689-8NSC 20898
Database identifiers
- CAS
1069-48-3、7685-44-1- PubChem CID
- 14044
- DTXSID
DTXSID701313217- ChEMBL
CHEMBL4096969- ChEBI
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Drugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
2 records
Compound notes
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