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Basic information
- CAS
2566-34-9- Standard SMILES
CNC(C)(C)C(=O)O- InChIKey
DLAMVQGYEVKIRE-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Overview
Alpha-(methylamino)isobutyric acid is a non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group. It has a role as a human urinary metabolite. It is an alanine derivative, a secondary amino compound and a non-proteinogenic alpha-amino acid. It is functionally related to an isobutyric acid. It is a tautomer of a N-methyl-aminoisobutyrate zwitterion.
Names & identifiers
- Preferred name
- alpha-(Methylamino)isobutyric acid
- IUPAC
- 2-methyl-2-(methylamino)propanoic acid
Names & synonyms
2566-34-92-(Methylamino)isobutyric acidN,2-dimethylalaninealpha-(Methylamino)isobutyric acidN-(methylamino)isobutyric acidalpha-methylaminoisobutyratealpha-(methylamino)isobutyrate26F96C8MBJDTXSID90180360CHEBI:134261AMAIBN-methyl alpha-aminoisobutyric acid
Show more names
RefChem:461320DTXCID00102851219-898-22-methyl-2-(methylamino)propanoic acidMeAIBAlanine, N,2-dimethyl-N,2-Dimethyl-DL-alanineMFCD00004191
Database identifiers
- CAS
2566-34-9- PubChem CID
- 75725
- DTXSID
DTXSID90180360- ChEMBL
CHEMBL1916079- ChEBI
CHEBI:134261- UNII
- 26F96C8MBJ
- EC Number
- 219-898-2
- Nikkaji
- J192.071E
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.6
Experimental & physicochemical properties
Melting Point300 °C
Physical DescriptionSolid
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers66 total
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Related reactions
3 records
Compound notes
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