1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2S)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate

2.1.2 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

2.1.3 InChI Key

FGLIDWYLHHPLPF-NSHDSACASA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 868694-44-4

2. Refchem:408225

3. 875-091-0

4. Tert-butyl [(s)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate

5. Tert-butyl N-[(2s)-1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate

6. Fglidwylhhplpf-nshdsacasa-n

7. Schembl2075220

8. Tert-butyl (s)-(1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl)carbamate

9. Mfcd25541985

10. Sy511497

11. Cs-0255705

12. (s)-2-(boc-amino)-3-(4-iodophenyl)propanamide

13. (s)-tert-butyl 1-amino-3-(4-iodophenyl)-1-oxopropan-2-ylcarbamate

14. (s)-tert-butyl(1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl)carbamate

15. [(1s)-2-amino-1-[(4-iodophenyl)methyl]-2-oxoethyl]-carbamic Acid 1,1-dimethylethyl Ester

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉IN₂O₃
Molecular Weight	390.22 g/mol
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	81.4
Heavy Atom Count	20
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

868694-44-4