N-Lactoyl-valine - CAS 21753-44-6

Catalog:	BB063979
Product Name:	N-Lactoyl-valine
CAS:	21753-44-6
Synonyms:	L-Valine, N-(2-hydroxy-1-oxopropyl)-, (S)-; N-[(2S)-2-Hydroxy-1-oxopropyl]-L-valine; Valine, N-L-lactoyl-, L-

Technical Data

Computed Properties

IUPAC Name:	(2S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-methylbutanoic acid
Description:	((S)-2-Hydroxypropanoyl)-L-tyrosine is a useful intermediate in the preparation of chiral morpholinediones by aminolysis of α-hydroxy esters with α-amino acid salts.
Molecular Weight:	205.25
Molecular Formula:	C9H19NO4
Canonical SMILES:	CC(C)C(C(=O)O)NC(=O)C(C)O
InChI:	InChI=1S/C8H15NO4/c1-4(2)6(8(12)13)9-7(11)5(3)10/h4-6,10H,1-3H3,(H,9,11)(H,12,13)/t5-,6-/m0/s1
InChI Key:	IJKKTQLUXOILBQ-WDSKDSINSA-N

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Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	189.10010796
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	189.10010796
Rotatable Bond Count:	4
Topological Polar Surface Area:	86.6?2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4