Home Carboxys (2S,3S)-1-Benzyl-3-hydroxypyrrolidine-2-carboxylic acid hcl

(2S,3S)-1-Benzyl-3-hydroxypyrrolidine-2-carboxylic acid hcl

CAS No.:
1422284-79-4
Catalog Number:
AG00HWE6
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
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Product Description
Catalog Number:
AG00HWE6
Chemical Name:
(2S,3S)-1-Benzyl-3-hydroxypyrrolidine-2-carboxylic acid hcl
CAS Number:
1422284-79-4
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
MDL Number:
MFCD23378521
IUPAC Name:
(2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c14-10-6-7-13(11(10)12(15)16)8-9-4-2-1-3-5-9;/h1-5,10-11,14H,6-8H2,(H,15,16);1H/t10-,11-;/m0./s1
InChI Key:
RZHJKFSSCLFIJM-ACMTZBLWSA-N
SMILES:
O[C@H]1CCN([C@@H]1C(=O)O)Cc1ccccc1.Cl
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties