Basic information
- Standard SMILES
CCC(C)C(N)C(=O)OC(C)(C)C- InChIKey
DRWKBZREIMLHDX-UHFFFAOYSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- tert-Butyl L-isoleucinate
- IUPAC
- tert-butyl 2-amino-3-methylpentanoate
- English name
- L-Isoleucine-tert-butyl ester dibenzene&
- Molecular formula
- C10H21NO2
- Molecular weight
- 187.28
Names & synonyms
tert-Butyl L-isoleucinatetert-butyl isoleucinateME3Y22XVA7EINECS 240-901-8tert-butyl 2-amino-3-methylpentanoatetert-butyl 2-amino-3-methyl-pentanoateUNII-ME3Y22XVA7SCHEMBL1841059SCHEMBL8864865DTXSID30937537DRWKBZREIMLHDX-UHFFFAOYSA-NEN300-296195
Show more names
DRWKBZREIMLHDX-YUMQZZPRSA-NIsoleucine tert-butyl esterL-Isoleucine 1,1-dimethylethyl esterL-Isoleucine-tert-butyl ester dibenzene&(2S,3S)-tert-Butyl 2-amino-3-methylpentanoateL-Isoleucine tert-butyl ester dibenzenesulfonimide salt
Database identifiers
- CAS
16874-08-1- PubChem CID
- 86077
- DTXSID
DTXSID30937537
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 134 · 134-135 °C
- Boiling point
- 222.4 · 222.4±13.0 °C(Predicted)
- Density
- 0.929 · 0.929±0.06 g/cm3(Predicted)
- pka
- 7.94 · 7.94±0.39(Predicted)
- FDA UNII
- 3 Y22XVA7 · ME3Y22XVA7
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
4 records
Linked notes
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