(2S)-3-Amino-2-(4-methylphenyl)propanoic Acid - CAS 1260684-80-7

Catalog:	BB054810
Product Name:	(2S)-3-Amino-2-(4-methylphenyl)propanoic Acid
CAS:	1260684-80-7
Synonyms:	(2S)-3-amino-2-(4-methylphenyl)propanoic acid; (S)-3-Amino-2-p-tolyl-propionic acid; (S)-3-Amino-2-(p-tolyl)propanoic acid; (R)-3-Amino-2-p-tolyl-propionic acid

Technical Data

IUPAC Name:	(2S)-3-amino-2-(4-methylphenyl)propanoic acid
Description:	(2S)-3-Amino-2-(4-methylphenyl)propanoic acids is a type of α-Substituted β-Amino Acid. It is a result of entantioselective preparation in a Suzuki-Miyaura cross-coupling reaction with aryltrifluoroborate salts via palladium catalyst. α-Substituted β-Amino Acid and its derivatives are useful building blocks in organic synthesis.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CC1=CC=C(C=C1)C(CN)C(=O)O
InChI:	InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)9(6-11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChI Key:	LLTZDCWOOVWORM-SECBINFHSA-N

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	179.094628657
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4