(3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid

Basic Information

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CAS Number

4910-47-8

Molecular Formula

C7H11NO5

Molecular Weight

189.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C7H11NO5/c1-4(9)8-5(3-6(10)11)7(12)13-2/h5H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1

InChIKey

KCNZNZZVMFPESV-YFKPBYRVSA-N

LogP

-0.8611999999999997

Topological Polar Surface Area

92.7 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

225

Synonyms & References

English

KCNZNZZVMFPESV-YFKPBYRVSA-N
MFCD00080825
(3S)-3-acetamido-4-methoxy-4-oxobutanoic acid
4910-47-8
AKOS006275429
Acetyl-L-aspartic acid alpha-methyl ester
(S)-3-acetamido-4-methoxy-4-oxobutanoic acid
Acetyl-L-aspartic acid a-methyl ester
SCHEMBL2460543
Ac-asp-ome
(S)-3-acetamido-4-methoxy-4-oxobutanoicacid
E82463
CS-0208585
L-Aspartic acid,N-acetyl-,1-methyl ester
L-Aspartic acid,N-acetyl-, 1-methyl ester
Ac-Asp-OMe
Acetyl-L-aspartic acid α-methyl ester
1-methyl N-acetylaspartic acid
AC-ASPARTIC ACID-OME
N-Acetyl-L-Aspartic Acid 1-Methyl Ester
N-acetyl-L-aspartic acid methyl ester

MDL Number

MFCD00080825

FAQ

What is (3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8)?

(3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8) is a chiral amino acid derivative with a unique molecular structure. It is composed of a backbone of a four-carbon chain with a methyl group at the fourth carbon, an amino group at the third carbon, and an acetyl group attached to the amino group. This compound is soluble in water and has a pKa of approximately 2.5, indicating its acidic nature.

What are the main uses of (3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8)?

(3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8) is primarily used in the pharmaceutical industry as a building block for synthesizing other compounds. It is also utilized in research for studying amino acid derivatives and in the food industry for its potential as a flavor enhancer or as a component in food additives.

Is (3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8) safe?

(3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8) is generally considered safe when used as directed. However, it is important to follow all safety guidelines, including proper handling, storage, and disposal. Protective measures such as wearing gloves and goggles are recommended. Ensure adequate ventilation during use and avoid contact with eyes and skin.

How should (3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8) be stored?

(3S)-3-Acetamido-4-methoxy-4-oxobutanoic acid (CAS: 4910-47-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be maintained between 15°C and 25°C to ensure stability. Avoid storing this compound in proximity to incompatible substances to minimize the risk of chemical reactions.