Showing Metabocard for N(2)-acetyl-L-ornithine (BASm0002973)
| Common Name | N(2)-acetyl-l-ornithine |
|---|---|
| Description | N2-Acetylornithine, also known as N(alpha)-acetylornithine, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha-amino acids which have the L-configuration of the alpha-carbon atom. N-Acetylornithine is a minor component of the deproteinized blood plasma of human blood. Human blood plasma contains a variable amount of acetylornithine, averaging 1.1 +/- 0.4 umol/L (range 0.8-0.2 umol/L). Urine contains a very small amount of acetylornithine, approximately 1 nmol/mg creatinine (1 umol/day) (PMID:508804 ). |
| Structure | |
| Molecular Formula | C7H14N2O3 |
| Average Mass | 174.19770 |
| Monoisotopic Mass | 174.10044 |
| IUPAC Name | (2S)-5-amino-2-acetamidopentanoic acid |
| Traditional Name | N(2)-acetyl-l-ornithine |
| CAS Registry Number | 6205-08-09 |
| SMILES | CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-] |
| InChI Identifier | InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 |
| InChI Key | JRLGPAXAGHMNOL-LURJTMIESA-N |
| CHEBI ID | CHEBI:57805 |
| HMDB ID | HMDB0003357 |
| State | Solid |
| Water Solubility | 3.78e+01 g/l |
| logP | -2.73 |
| logS | -0.66 |
| pKa (Strongest Acidic) | 3.82 |
| pKa (Strongest Basic) | 9.90 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 92.42 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 42.65 m³·mol⁻¹ |
| Polarizability | 17.94 |