Basic information
- Standard SMILES
CCC(C)C(N)C(=O)O- InChIKey
AGPKZVBTJJNPAG-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Overview
2-amino-3-methylpentanoic acid is a branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. It is a branched-chain amino acid and an alpha-amino acid.
Names & identifiers
- Preferred name
- 2-Amino-3-methylpentanoic acid
- IUPAC
- 2-amino-3-methylpentanoic acid
Names & synonyms
Show more names
Database identifiers
- CAS
1509-34-8、2095501-92-9、3107-04-8、443-79-8、73-32-5- PubChem CID
- 791
- DTXSID
DTXSID80901480- ChEBI
CHEBI:38264- EC Number
- 221-464-2
- Nikkaji
- J1.283A
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Solubility
21.4 mg/mL at 25 °C
Soluble in water; Insoluble in ether
Insoluble (in ethanol)
Physical Description
Glistening solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Solid
White crystalline powder; odourless
Safety & regulation
Hazard information
Toxicology
Toxicity Summary
(Applies to Valine, Leucine and Isoleucine) <br/>This group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates. <br/>The principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic. <br/>There are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological problems are due to poor formation of myelin in the CNS.
Chemistry & industry
Pharmacology
Uses & manufacturing
Uses
Isoleucine is an essential amino acid; [Merck Index] Used as a flavoring agent; [FDA] Used in animal feeds; [ExPub: EFSA]
Farming (Feed Additives) [Category: Industry]
The branched-chain amino acids may have antihepatic encephalopathy activity in some. They may also have anticatabolic and antitardive dyskinesia activity.
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Related reactions
Linked notes
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