methyl ((S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
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Basic information
- CAS
1292836-05-5- Standard SMILES
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(Br)[nH]1)C(C)C- InChIKey
JPRUTXKHNDJALK-ONGXEEELSA-N- Molecular formula
- C14H21BrN4O3
- Average molar mass
- 373.25 g/mol
Names & identifiers
- Preferred name
- methyl ((S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
- IUPAC
- methyl N-[(2S)-1-[(2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
- English name
- methyl(S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate
- Molecular formula
- C14H21BrN4O3
- Molecular weight
- 373.25
Names & synonyms
1292836-05-5methyl ((S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamateCarbamic acid, N-[(1S)-1-[[(2S)-2-(5-bromo-1H-imidazol-2-yl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl esterSCHEMBL903666SCHEMBL8749484JPRUTXKHNDJALK-ONGXEEELSA-NDB-255129methyl (S)-1((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamatemethyl (s)-1-((s)-2-(5-bromo -1h-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamatemethyl (S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamatemethyl(S)-1-((S)-2-(5-bromo -1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamatemethyl(S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate
Show more names
EOS-61044methyl ((S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate(WXG03511)N-[(1S)-1-[[(2S)-2-(5-Bromo-1H-imidazol-2-yl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamic acid methyl ester
Database identifiers
- CAS
1292836-05-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 609.8 · 609.8±55.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- pka
- 11.13 · 11.13±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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