(2R)-2-Phenylglycyl-glycine 1,1-Dimethylethyl Ester - CAS 439088-74-1

Catalog:	BB058231
Product Name:	(2R)-2-Phenylglycyl-glycine 1,1-Dimethylethyl Ester
CAS:	439088-74-1
Synonyms:	tert-Butyl N-[(2R)-2-amino-2-phenylacetyl]glycinate; Glycine, (2R)-2-phenylglycyl-, 1,1-dimethylethyl ester; tert-Butyl N-[(2R)-2-amino-2-phenylethanoyl]glycinate; (R)-alpha-[N-(t-Butoxycarbonylmethyl)carbamoyl]benzylamine

Technical Data

IUPAC Name:	tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
Description:	(2R)-2-Phenylglycyl-glycine 1,1-Dimethylethyl Ester is an intermediate used in the synthesis of Piperazinedione-carbonyl D-Phenylglycyl-glycine (P480165), which is an impurity of Piperacillin (P479950), a broad spectrum semi-synthetic antibiotic related to Penicillin.
Molecular Weight:	264.32
Molecular Formula:	C14H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)CNC(=O)C(C1=CC=CC=C1)N
InChI:	InChI=1S/C14H20N2O3/c1-14(2,3)19-11(17)9-16-13(18)12(15)10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChI Key:	ZCERGRXTTGLHFZ-GFCCVEGCSA-N
Solubility:	Ethanol; Dichloromethane
Appearance:	Clear Colorless Oil
References:	Takai, A., et al. Chemotherapy, 25, 816 (1977); Bodey, G.P., et al. Antimicrob. Agents Chemother., 14, 78 (1978); Kuck, N.A., et al. J. Antibiot., 31, 1175 (1978).

Complexity:	317
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	264.1473925
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	264.1473925
Rotatable Bond Count:	6
Topological Polar Surface Area:	81.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2