Home Aminos methyl (2S,3R)-2-(benzylamino)-3-hydroxybutanoate

methyl (2S,3R)-2-(benzylamino)-3-hydroxybutanoate

CAS No.:
167423-97-4
Catalog Number:
AG01BF43
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
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Product Description
Catalog Number:
AG01BF43
Chemical Name:
methyl (2S,3R)-2-(benzylamino)-3-hydroxybutanoate
CAS Number:
167423-97-4
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD28714504
IUPAC Name:
methyl 2-(benzylamino)-3-hydroxybutanoate
InChI:
InChI=1S/C12H17NO3/c1-9(14)11(12(15)16-2)13-8-10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3
InChI Key:
VRFBWLFXARAYAP-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H]([C@H](O)C)NCc1ccccc1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties