Basic information
- CAS
1948-48-7- Standard SMILES
NC(CC(=O)O)CC(=O)O- InChIKey
BBJIPMIXTXKYLZ-UHFFFAOYSA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.05315777
Overview
Isoglutamic acid is a 1,5-dicarboxylic acid compound having a 3-amino substituent. It has been isolated from the extracts of the algae, Chondria armata. It has a role as a marine metabolite and an algal metabolite. It is functionally related to a glutaric acid. It is a conjugate acid of an isoglutamate(1-).
Names & identifiers
- Preferred name
- 3-Aminopentanedioic acid
- IUPAC
- 3-aminopentanedioic acid
- English name
- 3-Aminopentanedioic acid
- Molecular formula
- C5H9NO4
- Molecular weight
- 147.13
Names & synonyms
3-Aminopentanedioic acid1948-48-73-Aminoglutaric acidbeta-Glutamic acidIsoglutamic acidPentanedioic acid, 3-amino-beta-Aminoglutaric acidSFG5X9C3DQNSC-341646CHEBI:28791DTXSID30173130RefChem:911159
Show more names
isoglutamicaciβ-?Glutamic Acidβ-homoasparticacidbeta-homoaspartic acid3-azanylpentanedioic acid
DTXCID00956213-AminoglutarateIsoglutamateGLUTAMIC ACID, BETAMFCD00056698b-Glutamic acid3-AMINOPENTANEDIOICACIDNSC341646
Database identifiers
- CAS
1948-48-7- PubChem CID
- 73064
- DTXSID
DTXSID30173130- ChEBI
CHEBI:28791- UNII
- SFG5X9C3DQ
- Nikkaji
- J80.351K
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 233 °C · 233 °C (decomp)
- Boiling point
- 329.8 · 329.8±32.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- pka
- 3.35 · 3.35±0.10(Predicted)
- color
- White to off-white
- InChI
- 1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
- InChIKey
- BBJIPMIXTXKYLZ-UHFFFAOYSA-N
- SMILES
- NC(CC(O)=O)CC(O)=O
- FDA UNII
- 5 X9C3DQ · SFG5X9C3DQ
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesβ-Glutamic Acid is a serum biomarker for chemoradiosensitivity in esophageal cancer.
Upstream & downstream products
Upstream raw materials
Suppliers61 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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