1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide

2.1.2 InChI

InChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1

2.1.3 InChI Key

YNMUTYLWSRFTPX-QWRGUYRKSA-N

2.2 Other Identifiers

2.2.1 UNII

Y9GUF3B7Q7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Refchem:153852

2. (2s,3s)-2-amino-3-methyl-n-(2-morpholinoethyl)pentanamide

3. 102562-74-3

4. 1243259-19-9

5. N-[2-(morpholin-4-yl)ethyl]-l-isoleucinamide

6. (2s,3s)-2-amino-3-methyl-n-(2-morpholin-4-ylethyl)pentanamide

7. Lm-11a-31

8. (2s,3s)-2-amino-3-methyl-n-[2-(4-morpholinyl)ethyl]pentanamide Hydrochloride

9. Y9guf3b7q7

10. Schembl1723692

11. Gtpl13391

12. Dtxsid50595097

13. Ynmutylwsrftpx-qwrguyrksa-n

14. Mfcd13245016

15. Bs-51733

16. Cs-0063684

17. F74058

18. (2s,3s)-2-amino-3-methyl-n-(2-morpholinoethyl) Pentanamide

19. (2s,3s)-2-amino-3-methyl-n-(2-morpholinoethyl)-pentanamide

20. Pentanamide, 2-amino-3-methyl-n-[2-(4-morpholinyl)ethyl]-, (2s,3s)-

2.4 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₅N₃O₂
Molecular Weight	243.35 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	67.6
Heavy Atom Count	17
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

LM11A-31