Home Carboxys (2R,3S)-2-Methyl-5-oxo-4-(phenylMethyl)-3-Morpholinecarboxylic acid

(2R,3S)-2-Methyl-5-oxo-4-(phenylMethyl)-3-Morpholinecarboxylic acid

CAS No.:
681851-25-2
Catalog Number:
AG00FH8N
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
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Product Description
Catalog Number:
AG00FH8N
Chemical Name:
(2R,3S)-2-Methyl-5-oxo-4-(phenylMethyl)-3-Morpholinecarboxylic acid
CAS Number:
681851-25-2
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD19982685
IUPAC Name:
(2R,3S)-4-benzyl-2-methyl-5-oxomorpholine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO4/c1-9-12(13(16)17)14(11(15)8-18-9)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,16,17)/t9-,12+/m1/s1
InChI Key:
UWKSAFKXCAKKDJ-SKDRFNHKSA-N
SMILES:
C[C@H]1OCC(=O)N([C@@H]1C(=O)O)Cc1ccccc1
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties