200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 115545-60-3
115545-60-3 | L-Aspartic acid, 4-tricyclo[3.3.1.13,7]dec-2-yl ester
CAS No: 115545-60-3 Catalog No: AG000G4G MDL No:
Product Description
Catalog Number:
AG000G4G
Chemical Name:
L-Aspartic acid, 4-tricyclo[3.3.1.13,7]dec-2-yl ester
CAS Number:
115545-60-3
Molecular Formula:
C14H20NO4-
Molecular Weight:
266.3129
IUPAC Name:
(3S)-4-(2-adamantyloxy)-3-amino-4-oxobutanoate
InChI:
InChI=1S/C14H21NO4/c15-11(6-12(16)17)14(18)19-13-9-2-7-1-8(4-9)5-10(13)3-7/h7-11,13H,1-6,15H2,(H,16,17)/p-1/t7?,8?,9?,10?,11-,13?/m0/s1
InChI Key:
NZLMDDGCBNAWGG-WQJBQHQGSA-M
SMILES:
N[C@H](C(=O)[O-])CC(=O)OC1C2CC3CC1CC(C2)C3
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.139g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.317g/mol
Monoisotopic Mass:
266.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.