(2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

Basic Information

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CAS Number

45159-34-0

Molecular Formula

C9H14N2O4

Molecular Weight

203.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)NC(CC#N)C(=O)O

InChI

InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1

InChIKey

IVKMLPKBZQTAMQ-LURJTMIESA-N

LogP

1.3742999999999996

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

297

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(S)-3-Cyano-2-(Boc-amino)propanoic acid
SCHEMBL999756
(S)-2-(tert-butoxycarbonylamino)-3-cyanopropanoic acid
Propanoic acid,3-cyano-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
BS-22366
IVKMLPKBZQTAMQ-LURJTMIESA-N
Boc-beta-cyano-L-alanine
AKOS015836599
AKOS015907798
Boc-Ala(3-CN)-OH
45159-34-0
A872415
(2s)-2-((tert-butoxycarbonyl)amino)-3-cyanopropanoic acid
CHEBI:192679
Boc-beta-cyano-D-Ala-OH
(2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Boc-beta-cyano-L-Ala-OH
CS-0140321
FD21129
Boc--cyano-Ala-OH
(S)-2-((tert-Butoxycarbonyl)amino)-3-cyanopropanoic acid
MFCD00237539
Boc-b-cyano-Ala-OH
BOC-BETA-CYANO-ALA-OH
Boc-ß-cyano-L-alanine
Boc-β-cyano-Ala-OH
Boc-β-cyano-L-alanine

MDL Number

MFCD00237539

FAQ

What is (2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 45159-34-0)?

(2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is a chemical compound with the CAS number 45159-34-0. It is a colorless solid with a molecular formula of C8H13NO4. This compound is characterized by its specific stereochemistry at the second carbon atom and contains a cyano group and an amino group. It is used primarily in pharmaceuticals and research applications due to its unique chemical structure.

What are the main uses of (2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 45159-34-0)?

(2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is mainly used in pharmaceutical research as a precursor or intermediate for drug development. It may also have potential applications in analytical chemistry and as a reagent in various synthetic pathways. Its unique structure makes it valuable in both academic and industrial settings.

Is (2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 45159-34-0) safe?

The safety of (2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 45159-34-0) depends on careful handling and use. It is not considered hazardous under normal storage conditions but should be handled with caution. Wear appropriate personal protective equipment, such as gloves and goggles, to minimize contact. Ensure good ventilation and avoid inhalation of dust or fumes. Follow all standard laboratory safety protocols.

How should (2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 45159-34-0) be stored?

To ensure the stability and safety of (2S)-3-Cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 45159-34-0), store it in a cool, dark place, preferably at room temperature (15-25°C). Keep it in a tightly sealed container to prevent degradation. Avoid exposure to moisture and direct sunlight. Store it away from incompatible materials and ensure proper ventilation in the storage area. Follow all safety guidelines and consult the Material Safety Data Sheet (MSDS) for specific storage recommendations.