Home Carbonyls L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2-propenyl) ester

L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2-propenyl) ester

CAS No.:
88224-27-5
Catalog Number:
AG004B86
Molecular Formula:
C12H18NO6-
Molecular Weight:
272.2744
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Product Description
Catalog Number:
AG004B86
Chemical Name:
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2-propenyl) ester
CAS Number:
88224-27-5
Molecular Formula:
C12H18NO6-
Molecular Weight:
272.2744
MDL Number:
MFCD29076636
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-prop-2-enoxybutanoate
InChI:
InChI=1S/C12H19NO6/c1-5-6-18-10(16)8(7-9(14)15)13-11(17)19-12(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,14,15)/p-1/t8-/m0/s1
InChI Key:
IAEZDRCCBIEBCS-QMMMGPOBSA-M
SMILES:
C=CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(=O)[O-]
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
272.113g/mol
Formal Charge:
-1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.277g/mol
Monoisotopic Mass:
272.113g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties