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1155262-85-3 | 1,2-Pyrrolidinedicarboxylic acid, 4-azido-, 1-(phenylmethyl) ester, (2S,4S)-
CAS No: 1155262-85-3 Catalog No: AG000G3K MDL No:
Product Description
Catalog Number:
AG000G3K
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-azido-, 1-(phenylmethyl) ester, (2S,4S)-
CAS Number:
1155262-85-3
Molecular Formula:
C13H13N4O4-
Molecular Weight:
289.2667
IUPAC Name:
(2S,4S)-4-azido-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H14N4O4/c14-16-15-10-6-11(12(18)19)17(7-10)13(20)21-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)/t10-,11-/m0/s1
InChI Key:
MCMIVURICADVMC-QWRGUYRKSA-N
SMILES:
O=C(N1C[C@H](C[C@H]1C(=O)[O-])N=[N+]=[N-])OCc1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
290.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.279g/mol
Monoisotopic Mass:
290.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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