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(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid

CAS No.:
75176-22-6
Catalog Number:
AG01BKA7
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
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Product Description
Catalog Number:
AG01BKA7
Chemical Name:
(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
CAS Number:
75176-22-6
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
MDL Number:
MFCD19218169
IUPAC Name:
(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C6H11NO3/c1-10-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChI Key:
RNXKXUOGQKYKTH-WHFBIAKZSA-N
SMILES:
CO[C@@H]1CN[C@@H](C1)C(=O)O
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8  
Literature
Title Journal
The aberrance of the 4S diastereomer of 4-hydroxyproline. Journal of the American Chemical Society 20100811
Thermodynamic consequences of incorporating 4-substituted proline derivatives into a small helical protein. Biochemistry 20100518
Properties