N-Acetyl-O-methyl-D-serine - CAS 196601-67-9

Catalog:	BB075445
Product Name:	N-Acetyl-O-methyl-D-serine
CAS:	196601-67-9
Synonyms:	N-Acetyl-O-methyl-D-serine; (R)-2-(Acetylamino)-3-methoxypropionic Acid

Technical Data

IUPAC Name:	(2R)-2-acetamido-3-methoxypropanoic acid
Description:	N-Acetyl-O-methyl-D-serine can be used as reactant/reagent for preparation and anticonvulsant activities of functionalized amino acids and amino amides.
Molecular Weight:	161.16
Molecular Formula:	C6H11NO4
Canonical SMILES:	CC(=O)NC(COC)C(=O)O
InChI:	InChI=1S/C6H11NO4/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m1/s1
InChI Key:	SDNGNSKFWTZCJG-RXMQYKEDSA-N
Melting Point:	136-139°C
Solubility:	DMSO (Slightly), Methanol (Sparingly)
Appearance:	White to Off-White Solid
Storage:	-20°C
References:	Salome, C., et al. J. Med. Chem., 53, 3756-3771 (2010).

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	161.06880783
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.06880783
Rotatable Bond Count:	4
Topological Polar Surface Area:	75.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1