N-Acetyl-N-methyl-L-alanine - CAS 33099-03-5
Catalog: |
BB075435 |
Product Name: |
N-Acetyl-N-methyl-L-alanine |
CAS: |
33099-03-5 |
Synonyms: |
N-Acetyl-N-methyl-L-alanine; (2S)-2-(N-methylacetamido)propanoic acid; N-acetyl-cis-N-methyl-l-alanine |
IUPAC Name: | (2S)-2-[acetyl(methyl)amino]propanoic acid |
Description: | N-Acetyl-N-methyl-L-alanine is an intermediate in the synthesis of Maytansine which inhibits in vitro polymerization of tubulin and is used in the treatment of advanced breast cancer. |
Molecular Weight: | 145.16 |
Molecular Formula: | C6H11NO3 |
Canonical SMILES: | CC(C(=O)O)N(C)C(=O)C |
InChI: | InChI=1S/C6H11NO3/c1-4(6(9)10)7(3)5(2)8/h4H,1-3H3,(H,9,10)/t4-/m0/s1 |
InChI Key: | CSNMMNNSBJWRQB-BYPYZUCNSA-N |
Melting Point: | 105 - 111°C |
Solubility: | Acetic Acid (Slightly, Sonicated), DMSO (Sparingly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C |
References: | Remillard, S., et. al. Science, 189, 1002 (1975); Prota, A.E., et. al. P. Natl. Acad. Sci. USA, 111, 13817 (2014). |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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