Basic information
- CAS
20257-17-4- Standard SMILES
CC[C@@H](C)[C@H](NC(C)=O)C(=O)O- InChIKey
JDTWZSUNGHMMJM-VDTYLAMSSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- (2S,3R)-2-acetamido-3-methylpentanoic acid
- IUPAC
- (2S,3R)-2-acetamido-3-methylpentanoic acid
Names & synonyms
(2S,3R)-2-acetamido-3-methylpentanoic acidN-Acetyl-L-alloisoleucineSCHEMBL9502850DTXSID301031619G87232EN300-7845370
Database identifiers
- CAS
20257-17-4、33601-90-0- PubChem CID
- 76501
- DTXSID
DTXSID301031619- Nikkaji
- J259.792F
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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