2,5-Diaminopentanoic Acid
Basic information
- CAS
33960-23-5- Standard SMILES
NCCCC(N)C(=O)O- InChIKey
AHLPHDHHMVZTML-UHFFFAOYSA-N- Molecular formula
- C5H12N2O2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.08987763
Overview
Ornithine is an alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. It has a role as an Escherichia coli metabolite, a human metabolite, a Daphnia magna metabolite and an algal metabolite. It is a conjugate base of an ornithinium(1+). It is a conjugate acid of an ornithinate.
Names & identifiers
- Preferred name
- 2,5-Diaminopentanoic Acid
- IUPAC
- 2,5-diaminopentanoic acid
- English name
- DL-ornithine
- Molecular formula
- C5H12N2O2
- Molecular weight
- 132.16
Names & synonyms
2,5-Diaminopentanoic acidRefChem:135313DL-Ornithine616-07-9Ornithine, DL-(+/-)-Ornithine128551-39-32381769MQCL-Ornithine-[2,3-3H]Ornithine DL-formNSC118360UNII-2381769MQC
Show more names
Ornithine,DL-DL-ornithine USP/EP/BP2,5-bis(azanyl)pentanoic acidDL-Ornithine 50% aqueous solutionrac-(2R*)-2,5-Diaminopentanoic acid
EINECS 210-463-2(RS)-ORNITHINENCGC00183365-01SCHEMBL85782,5-Diamino-pentanoic acidSCHEMBL3505652SCHEMBL5011547SCHEMBL9346606
Database identifiers
- CAS
33960-23-5、616-07-9- PubChem CID
- 389
- DTXSID
DTXSID00860383- ChEMBL
CHEMBL2009502- ChEBI
CHEBI:18257- UNII
- 2381769MQC
- EC Number
- 210-463-2
- Nikkaji
- J1.288B
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95
Experimental & physicochemical properties
DrugsPharmaceuticals
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Collision Cross Section136.3 Ų [M-H]-
Physicochemical properties
- Melting point
- 232 °C · 232 °C
- Boiling point
- 308.7 · 308.7±32.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.24(Predicted)
- FDA UNII
- 2381769 MQC · 2381769MQC
Chemistry & industry
Additional notes
DefinitionChEBI: Ornithine is an alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. It has a role as a human metabolite, a Daphnia magna metabolite, an algal metabolite and an Escherichia coli metabolite. It is a conjugate base of an ornithinium(1+). It is a conjugate acid of an ornithinate.
Related reactions
6 records
Compound notes
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