Home Carbonyls L-Asparagine, N2-(ethoxycarbonyl)-

L-Asparagine, N2-(ethoxycarbonyl)-

CAS No.:
16639-91-1
Catalog Number:
AG001WP1
Molecular Formula:
C7H12N2O5
Molecular Weight:
204.1806
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Product Description
Catalog Number:
AG001WP1
Chemical Name:
L-Asparagine, N2-(ethoxycarbonyl)-
CAS Number:
16639-91-1
Molecular Formula:
C7H12N2O5
Molecular Weight:
204.1806
MDL Number:
MFCD00082761
IUPAC Name:
(2S)-4-amino-2-(ethoxycarbonylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C7H12N2O5/c1-2-14-7(13)9-4(6(11)12)3-5(8)10/h4H,2-3H2,1H3,(H2,8,10)(H,9,13)(H,11,12)/t4-/m0/s1
InChI Key:
YORYXPTWPIKBDE-BYPYZUCNSA-N
SMILES:
CCOC(=O)N[C@H](C(=O)O)CC(=O)N
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
204.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.182g/mol
Monoisotopic Mass:
204.075g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties