Basic information
- CAS
19764-31-9- Standard SMILES
CCC(C)C(NC(C)=O)C(=O)O- InChIKey
JDTWZSUNGHMMJM-IYSWYEEDSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
Overview
N-acetylisoleucine is an isoleucine derivative that is the N-acetyl derivative of isoleucine. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- N-(1-Hydroxyethylidene)isoleucine
- IUPAC
- 2-acetamido-3-methylpentanoic acid
- English name
- 2-acetamido-3-methyl-pentanoic acid
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
DTXSID20942377RefChem:1090799N-(1-Hydroxyethylidene)isoleucineDTXCID80103334120257-17-4N-Acetyl-DL-alloisoleucineDL-Alloisoleucine, N-acetyl-isoleucine, N-acetyl-2-ACETAMIDO-3-METHYL-PENTANOIC ACIDN-ACETYL-D-(allo)-ISOLEUCINE33601-90-02-(acetylamino)-3-methylpentanoic acid
Show more names
Nsc203806Acetyl-D-isoleucineN-Acetyl-D-isoleucineD-Isoleucine, N-acetyl-Isoleucine, N-acetyl-, D-(2R,3R)-2-acetamido-3-methylpentanoic acid
2460646-17-5N-acetyl-DL-isoleucineAlloisoleucine, N-acetyl-Isoleucine, N-acetyl-, DL-NSC203805DL-acetylalloisoleucineOprea1_237024SCHEMBL428458
Database identifiers
- CAS
19764-31-9、20257-17-4、3077-46-1、33601-90-0- PubChem CID
- 306109
- ChEBI
CHEBI:84056- Nikkaji
- J364.297F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Chemistry & industry
Suppliers1 total
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Additional notes
DefinitionChEBI: N-acetylisoleucine is an isoleucine derivative that is the N-acetyl derivative of isoleucine. It has a role as a human metabolite.
Related reactions
2 records
Compound notes
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