3-(2,5-diaminopentanoylamino)propanoic Acid
Basic information
- CAS
94588-27-9- Standard SMILES
NCCCC(N)C(=O)NCCC(=O)O- InChIKey
GPAABQWHCYKKEG-UHFFFAOYSA-N- Molecular formula
- C8H17N3O3
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.12699141
Names & identifiers
- Preferred name
- 3-(2,5-diaminopentanoylamino)propanoic Acid
- IUPAC
- 3-(2,5-diaminopentanoylamino)propanoic acid
- English name
- Orn-β-Ala dihydrochloride
- Molecular formula
- C8H17N3O3
- Molecular weight
- 203.24
Names & synonyms
ornithyl-beta-alanine3-(2,5-diaminopentanoylamino)propanoic AcidSCHEMBL1228931DTXSID00391940OBAH-Orn-b-Ala-OHH-Orn-β-Ala-OHβ-Alanine, L-ornithyl-Orn-β-Ala dihydrochlorideOrn-β-Ala dihydrochlorideornithine-beta-alanine dihydrochloride
Database identifiers
- CAS
94588-27-9- PubChem CID
- 3378050
- DTXSID
DTXSID00391940
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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