N2,N5-Diacetyl-L-ornithine
Basic information
- CAS
39825-23-5- Standard SMILES
CC(=O)NCCC[C@H](NC(C)=O)C(=O)O- InChIKey
XUYANFPPYJSBPU-QMMMGPOBSA-N- Molecular formula
- C9H16N2O4
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.111007
Overview
Bisorcic is an N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5. It is a L-ornithine derivative and a N-acetyl-L-amino acid. It is a conjugate acid of a bisorcic(1-).
Names & identifiers
- Preferred name
- N2,N5-Diacetyl-L-ornithine
- IUPAC
- (2S)-2,5-diacetamidopentanoic acid
- English name
- bisorcic
- Molecular formula
- C9H16N2O4
- Molecular weight
- 216.23
Names & synonyms
BisorcicBisorcicoBisorcicum39825-23-53V77J79MIFCHEBI:133217N2,N5-Diacetyl-L-ornithineRefChem:1092191254-644-4(2S)-2,5-diacetamidopentanoic acidBisorcic [INN]N(sup 2),N(sup 5)-Diacetyl-L-ornithine
Show more names
L-Ornithine, N2,N5-diacetyl-
N(2),N(5)-diacetylornithineUNII-3V77J79MIFBisorcicum [INN-Latin]Bisorcico [INN-Spanish]N2,N5-Diacetyl_L-ornithineEINECS 254-644-4(S)-2,5-Bis(acetamido)valeriansaeureN,N'-diacetylornithine
Database identifiers
- CAS
39825-23-5- PubChem CID
- 65977
- DTXSID
DTXSID50960387- ChEMBL
CHEMBL3989425- ChEBI
CHEBI:133217- UNII
- 3V77J79MIF
- EC Number
- 254-644-4
- Nikkaji
- J261.454E
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 583.6 · 583.6±45.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.10(Predicted)
- FDA UNII
- 3 V77J79MIF · 3V77J79MIF
Chemistry & industry
Additional notes
DefinitionChEBI: An N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5.
Related reactions
1 records
Compound notes
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