Basic information
- CAS
39554-61-5- Standard SMILES
CC[C@@H](C)[C@@H](NC)C(=O)O- InChIKey
KSPIYJQBLVDRRI-PHDIDXHHSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- N-Methyl-D-isoleucine
- IUPAC
- (2R,3R)-3-methyl-2-(methylamino)pentanoic acid
- English name
- N-Methyl-D-isoleucine
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
39554-61-5N-Methyl-D-isoleucineSCHEMBL203222DTXSID70654433(2R,3R)-3-Methyl-2-(methylamino)pentanoic acidD-Isoleucine, N-methyl-
Database identifiers
- CAS
39554-61-5- PubChem CID
- 40475367
- DTXSID
DTXSID70654433
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 226.1 · 226.1±23.0 °C(Predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.24(Predicted)
Chemistry & industry
Suppliers3 total
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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