2-Amino-6-iodoacetamidohexanoic acid
Basic information
- CAS
90764-56-0- Standard SMILES
N[C@@H](CCCCNC(=O)CI)C(=O)O- InChIKey
PEVDSQTZJOGTKZ-LURJTMIESA-N- Molecular formula
- C8H15IN2O3
- Average molar mass
- 314.12 g/mol
- Monoisotopic mass
- 314.01274
Overview
structure given in first source (mislabeled as 2-AIPA)
Names & identifiers
- Preferred name
- 2-Amino-6-iodoacetamidohexanoic acid
- IUPAC
- (2S)-2-amino-6-[(2-iodoacetyl)amino]hexanoic acid
- English name
- AIAH
- Molecular formula
- C8H15IN2O3
- Molecular weight
- 314.12
Names & synonyms
90764-56-02-Amino-6-iodoacetamidohexanoic acidRefChem:853182-AIHAN(sup 6)-(Iodoacetyl)-L-lysine(2S)-2-amino-6-[(2-iodoacetyl)amino]hexanoic acid(S)-2-Amino-6-(2-iodoacetamido)hexanoic acidBRN 4744380(+)-S-2-Amino-5-iodoacetamidopentanoic acidL-Lysine, N(sup 6)-(iodoacetyl)-SCHEMBL450798CHEMBL2261745
Show more names
AIAH2-aipan(sup6)-(iodoacetyl)-l-lysinL-Lysine, N6-(2-iodoacetyl)-n(sup6)-(iodoacetyl)-l-lysine2-amino-6-iodoacetamidohexanoicacid(+)-s-2-amino-5-iodoacetamidopentanoicacid(S)-(+)-AMINO-6-IODOACETAMIDOHEXANOIC ACID(2S)-(+)-AMINO-6-IODOACETAMIDOHEXANOIC ACID
DTXSID60920174N~6~-(1-Hydroxy-2-iodoethylidene)lysineN~6~-(1-Hydroxy-2-iodoethylidene)-L-lysine
Database identifiers
- CAS
90764-56-0- PubChem CID
- 130171
- DTXSID
DTXSID60920174- ChEMBL
CHEMBL2261745
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 183 · 183-185 °C
- Boiling point
- 500 · 500.0±45.0 °C(Predicted)
- Density
- 1.706 · 1.706±0.06 g/cm3(Predicted)
- pka
- 2.52 · 2.52±0.24(Predicted)
Chemistry & industry
Applications
Uses(2S)-(+)-Amino-6-iodoacetamidohexanoic acid is an ornithine decarboxylase and arginase inhibitor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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