1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-4-methylpentanoic acid;hydrochloride

2.1.2 InChI

InChI=1S/C6H13NO2.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t5-;/m0./s1

2.1.3 InChI Key

XKZZNHPZEPVUQK-JEDNCBNOSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)O)N.Cl

2.1.5 Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N.Cl

2.2 Other Identifiers

2.2.1 UNII

N39KV97633

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Leucine Hydrochloride

2. 760-84-9

3. L-leucine Hydrochloride Solution

4. (2s)-2-amino-4-methylpentanoic Acid;hydrochloride

5. N39kv97633

6. L-leucine Hcl

7. Einecs 212-083-2

8. Leucine-hcl

9. Unii-n39kv97633

10. (2s)-2-amino-4-methylpentanoic Acid Hydrochloride

11. Schembl247522

12. Dtxsid40226904

13. L-leucine Monohydrochloride

14. Leucine, L-, Hydrochloride

15. Leucine Hydrochloride, (-)-

16. Leucine Hydrochloride [who-dd]

17. Hy-w142032

18. Cs-0201817

19. 760l849

20. Q-201025

21. Q27284503

22. (s)-2-amino-4-methylpentanoic Acid Monohydrochloride

23. L-leucine Hydrochloride Solution, 100 Mm Amino Acid In 0.1 M Hcl, Analytical Standard

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄ClNO₂
Molecular Weight	167.63 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	167.0713064 g/mol
Monoisotopic Mass	167.0713064 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
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	2

L-Leucine, Hydrochloride

L-Leucine, hydrochloride

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