(+)-α-Methyl-β-alanine - CAS 4249-19-8

Catalog:	BB059990
Product Name:	(+)-α-Methyl-β-alanine
CAS:	4249-19-8
Synonyms:	(+)-3-Amino-2-methylpropionic Acid; (2S)-3-Amino-2-methylpropanoic Acid; L-2-methyl-β-Alanine

Technical Data

IUPAC Name:	(2S)-3-amino-2-methylpropanoic acid
Description:	(+)-α-Methyl-β-alanine is a reactant for the chemoenzymatic assembly of cryptophycins as potent anticancer therapeutics.
Molecular Weight:	103.12
Molecular Formula:	C4H9NO2
Canonical SMILES:	CC(CN)C(=O)O
InChI:	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key:	QCHPKSFMDHPSNR-VKHMYHEASA-N
Melting Point:	169-181°C (dec.)
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	Pale Yellow to Light Beige Solid
Storage:	Refrigerator
References:	Magarvey, N.A., et al. ACS Chem. Biol., 1, 766-779 (2006).

Complexity:	72.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	103.06332853
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	103.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.9