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256527-12-5 | (S)-tert-Butyl 1-(pyridin-3-ylmethyl)pyrrolidin-3-ylcarbamate
CAS No: 256527-12-5 Catalog No: AG01EUMO MDL No:
Product Description
Catalog Number:
AG01EUMO
Chemical Name:
(S)-tert-Butyl 1-(pyridin-3-ylmethyl)pyrrolidin-3-ylcarbamate
CAS Number:
256527-12-5
Molecular Formula:
C15H23N3O2
Molecular Weight:
277.3620
IUPAC Name:
tert-butyl N-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-13-6-8-18(11-13)10-12-5-4-7-16-9-12/h4-5,7,9,13H,6,8,10-11H2,1-3H3,(H,17,19)/t13-/m0/s1
InChI Key:
RHHIPAUQALUPAC-ZDUSSCGKSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCN(C1)Cc1cccnc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.368g/mol
Monoisotopic Mass:
277.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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