Home Carboxys (3R,4S)-tert-butyl 3-allyl-4-hydroxypyrrolidine-1-carboxylate

(3R,4S)-tert-butyl 3-allyl-4-hydroxypyrrolidine-1-carboxylate

CAS No.:
120871-72-9
Catalog Number:
AG0098U5
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG0098U5
Chemical Name:
(3R,4S)-tert-butyl 3-allyl-4-hydroxypyrrolidine-1-carboxylate
CAS Number:
120871-72-9
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD23704295
IUPAC Name:
tert-butyl (3R,4S)-3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-5-6-9-7-13(8-10(9)14)11(15)16-12(2,3)4/h5,9-10,14H,1,6-8H2,2-4H3/t9-,10-/m0/s1
InChI Key:
XWAFVZGCUNQYNV-UWVGGRQHSA-N
SMILES:
C=CC[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties