Home Carbonyls L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester

L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester

CAS No.:
51814-46-1
Catalog Number:
AG00DB9G
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
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Product Description
Catalog Number:
AG00DB9G
Chemical Name:
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester
CAS Number:
51814-46-1
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
MDL Number:
MFCD29076664
IUPAC Name:
phenacyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C16H21NO5/c1-11(17-15(20)22-16(2,3)4)14(19)21-10-13(18)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,17,20)/t11-/m0/s1
InChI Key:
BVKQROOXNDXZMB-NSHDSACASA-N
SMILES:
C[C@@H](C(=O)OCC(=O)c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties