tert-Butyl ((3R,4S)-4-phenethylpyrrolidin-3-yl)carbamate - CAS 1260602-53-6
Catalog: |
BB070970 |
Product Name: |
tert-Butyl ((3R,4S)-4-phenethylpyrrolidin-3-yl)carbamate |
CAS: |
1260602-53-6 |
Synonyms: |
tert-Butyl ((3R,4S)-4-phenethylpyrrolidin-3-yl)carbamate; tert-butyl N-[(3R,4S)-4-(2-phenylethyl)pyrrolidin-3-yl]carbamate |
IUPAC Name: | tert-butyl N-[(3R,4S)-4-(2-phenylethyl)pyrrolidin-3-yl]carbamate |
Molecular Weight: | 290.4 |
Molecular Formula: | C17H26N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CNCC1CCC2=CC=CC=C2 |
InChI: | InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-15-12-18-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3,(H,19,20)/t14-,15-/m0/s1 |
InChI Key: | INKGCLFQHSMZGK-GJZGRUSLSA-N |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.199428076 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.199428076 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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