2-Amino-5-iodoacetamidopentanoic acid
Basic information
- CAS
35748-65-3- Standard SMILES
N[C@@H](CCCNC(=O)CI)C(=O)O- InChIKey
ZDWGLSKCVZNFLT-YFKPBYRVSA-N- Molecular formula
- C7H13IN2O3
- Average molar mass
- 300.09 g/mol
- Monoisotopic mass
- 299.99709
Overview
structure given in first source (mislabeled as 2-AIHA)
Names & identifiers
- Preferred name
- 2-Amino-5-iodoacetamidopentanoic acid
- IUPAC
- (2S)-2-amino-5-[(2-iodoacetyl)amino]pentanoic acid
- English name
- AIAP
- Molecular formula
- C7H13IN2O3
- Molecular weight
- 300.09
Names & synonyms
35748-65-32-Amino-5-iodoacetamidopentanoic acid2-AIPARefChem:85274AIAPN(sup 5)-(Iodoacetyl)-L-ornithine(2S)-2-amino-5-[(2-iodoacetyl)amino]pentanoic acid(2S)-(+)-Amino-6-iodoacetamidohexanoic acid(S)-2-Amino-5-(2-iodoacetamido)pentanoic acid(2S)-(+)-Amino-5-iodoacetamidopentanoic acidL-Ornithine, N(sup 5)-(iodoacetyl)-(+)-S-2-Amino-6-iodoacetamidohexanoic acid
Show more names
2-aihan(sup5)-(iodoacetyl)-l-ornithinL-Ornithine, N5-(2-iodoacetyl)-n(sup5)-(iodoacetyl)-l-ornithine2-amino-5-iodoacetamidopentanoicacid(+)-s-2-amino-6-iodoacetamidohexanoicacid(S)-(+)-AMINO-5-IODOACETAMIDOPENTANOIC ACID
L-Ornithine, N5-(iodoacetyl)-SCHEMBL450041CHEMBL2261744DTXSID90957150N~5~-(1-Hydroxy-2-iodoethylidene)ornithineN~5~-(1-Hydroxy-2-iodoethylidene)-L-ornithine
Database identifiers
- CAS
35748-65-3- PubChem CID
- 160253
- DTXSID
DTXSID90957150- ChEMBL
CHEMBL2261744- Nikkaji
- J389.560B
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 174 · 174-176 °C
- Boiling point
- 498.167 · 498.167±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.791 · 1.791±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 2.494 · 2.494±0.24(predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances and drugs that inhibit or block the activity of ORNITHINE DECARBOXYLASE.
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
Loading…