tert-Butyl [(S)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate - CAS 868694-44-4

Catalog:	BB071864
Product Name:	tert-Butyl [(S)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate
CAS:	868694-44-4
Synonyms:	(S)-TERT-BUTYL (1-AMINO-3-(4-IODOPHENYL)-1-OXOPROPAN-2-YL)CARBAMATE; tert-butyl N-[(2S)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate; tert-Butyl [(S)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate; (S)-tert-Butyl 1-amino-3-(4-iodophenyl)-1-oxopropan-2-ylcarbamate; tert-Butyl (S)-(1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl)carbamate

Technical Data

IUPAC Name:	tert-butyl N-[(2S)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate
Molecular Weight:	390.22
Molecular Formula:	C14H19IN2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)I)C(=O)N
InChI:	InChI=1S/C14H19IN2O3/c1-14(2,3)20-13(19)17-11(12(16)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H2,16,18)(H,17,19)/t11-/m0/s1
InChI Key:	FGLIDWYLHHPLPF-NSHDSACASA-N

Complexity:	347
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	390.04404
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	390.04404
Rotatable Bond Count:	6
Topological Polar Surface Area:	81.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2