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

Technical Data

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:	57.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3