Home Other Building Blocks N-ACETYL-L-ASPARTIC ACID DIETHYL ESTER

N-ACETYL-L-ASPARTIC ACID DIETHYL ESTER

CAS No.:
1069-39-2
Catalog Number:
AG0082RB
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
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Product Description
Catalog Number:
AG0082RB
Chemical Name:
N-ACETYL-L-ASPARTIC ACID DIETHYL ESTER
CAS Number:
1069-39-2
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD09954467
IUPAC Name:
diethyl (2S)-2-acetamidobutanedioate
InChI:
InChI=1S/C10H17NO5/c1-4-15-9(13)6-8(11-7(3)12)10(14)16-5-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChI Key:
XQGDGRNHLJLQOV-QMMMGPOBSA-N
SMILES:
CCOC(=O)C[C@@H](C(=O)OCC)NC(=O)C
UNII:
6BO47VAA83
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties