Home Carboxys (2R,4S)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid

(2R,4S)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid

CAS No.:
147266-70-4
Catalog Number:
AG01AGCD
Molecular Formula:
C11H19NO5
Molecular Weight:
245.2723
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Product Description
Catalog Number:
AG01AGCD
Chemical Name:
(2R,4S)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CAS Number:
147266-70-4
Molecular Formula:
C11H19NO5
Molecular Weight:
245.2723
MDL Number:
MFCD22418971
IUPAC Name:
(2R,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(16-4)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m0/s1
InChI Key:
COHIMMPWCAHSFN-JGVFFNPUSA-N
SMILES:
CO[C@@H]1CN([C@H](C1)C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties