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2D Structure
Also known as: L-ornithine (4-methyl-2-oxopentanoate), 72087-37-7, 9k1y6v15zy, L-ornithine, mono(4-methyl-2-oxopentanoate), Unii-9k1y6v15zy, Einecs 276-323-8
Molecular Formula
C11H22N2O5
Molecular Weight
262.30  g/mol
InChI Key
UMQFXFDTFNTJRK-VWMHFEHESA-N
FDA UNII
9K1Y6V15ZY

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2,5-diaminopentanoic acid;4-methyl-2-oxopentanoic acid
2.1.2 InChI
InChI=1S/C6H10O3.C5H12N2O2/c1-4(2)3-5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1
2.1.3 InChI Key
UMQFXFDTFNTJRK-VWMHFEHESA-N
2.1.4 Canonical SMILES
CC(C)CC(=O)C(=O)O.C(CC(C(=O)O)N)CN
2.1.5 Isomeric SMILES
CC(C)CC(=O)C(=O)O.C(C[C@@H](C(=O)O)N)CN
2.2 Other Identifiers
2.2.1 UNII
9K1Y6V15ZY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. L-ornithine (4-methyl-2-oxopentanoate)

2. 72087-37-7

3. 9k1y6v15zy

4. L-ornithine, Mono(4-methyl-2-oxopentanoate)

5. Unii-9k1y6v15zy

6. Einecs 276-323-8

7. Schembl1819448

8. Dtxsid90222416

9. L-ornithine(4-methyl-2-oxopentanoate)

10. L-ornithine .alpha.-ketoisocaproate

11. Ornithine 4-methyl-2-oxopentanoate

12. Q27272655

13. Pentanoic Acid, 4-methyl-2-oxo-, Compd. With L-ornithine (1:1)

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 262.30 g/mol
Molecular Formula C11H22N2O5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass262.15287181 g/mol
Monoisotopic Mass262.15287181 g/mol
Topological Polar Surface Area144 Ų
Heavy Atom Count18
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2