3-[(Carboxycarbonyl)amino]-L-alanine

Basic Information

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CAS Number

5302-45-4

Molecular Formula

C5H8N2O5

Molecular Weight

176.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Powder

SMILES

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C(C(C(=O)O)N)NC(=O)C(=O)O

InChI

InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1

InChIKey

NEEQFPMRODQIKX-REOHCLBHSA-N

LogP

-2.400899999999999

Topological Polar Surface Area

129.72 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

214

Safety Information

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Storage Conditions

N/A

Synonyms & References

English

A-n-oxalylamino-l-alanine
beta-N-oxalylamino-L-alanine
CHEBI:16399
OXAMIC ACID, (2-AMINO-2-CARBOXYETHYL)-, L-
beta-N-oxalyl-l-alpha,beta-diaminopropanoic acid
L-BOAA
FT-0773176
beta-ODAP
(S)-beta-Oxalyl-alpha,beta-diaminopropionic acid
AKOS006272383
CS-0016985
L-alpha-Amino-beta-oxalylaminopropionic acid
O10211
Dencichin
(2-amino-2-carboxymethyl)-L-oxamic acid
NS00094421
(2-Amino-2-carboxyethyl)-L-oxamic acid
O8VT5BZ48B
Nbeta-Oxalylamino-L-alanine
3-[(carboxycarbonyl)amino]-L-alanine
N-Oxalyl-L-alpha-beta-diaminopropionic acid (BOAA,ODAP)
oxalyldiaminopropionic acid, (L-Ala)-isomer
AS-63463
Neurotoxin (Lathyrus sativus)
BRN 2259036
3-((Carboxycarbonyl)amino)-L-alanine
beta-N-Oxalo-L-alpha,eta-diaminopropionic acid
L-Alanine, 3-((carboxycarbonyl)amino)-
3-((CARBOXYCARBONYL)AMINO)ALANINE, L-
(2S)-2-amino-3-((carboxycarbonyl)amino)propanoic acid

MDL Number

MFCD00055228

FAQ

What are the physical and chemical properties of 3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4)?

3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4) is a white crystalline solid with a molecular weight of 186.14 g/mol. It is slightly soluble in water and very soluble in organic solvents. Chemically, it is highly reactive due to the presence of its amine and carboxylic acid groups, which can participate in various chemical reactions such as esterification, amidation, and condensation.

How is 3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4) typically synthesized?

3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4) is typically synthesized via the condensation of L-alanine with acetic anhydride in the presence of a catalytic amount of an acid such as phosphoric acid. The reaction yields a high yield and good selectivity, with the product being isolated and purified through recrystallization.

What industries use 3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4)?

3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4) is used in various industries including pharmaceuticals for the synthesis of biologically active compounds, polymers for the development of biodegradable materials, and sensors for the detection of specific analytes. Its unique chemical properties make it a valuable reagent in semiconductor applications as well.

What precautions should be taken when handling 3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4)?

When handling 3-[(Carboxycarbonyl)amino]-L-alanine (CAS: 5302-45-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up immediately and the affected area should be thoroughly washed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.