Chemical ID: 5058639

CCOC(=O)CNC(=O)CC(C(=O)O)N
Chemical ID:
5058639
Name [?]:
2-amino-4-(ethoxycarbonylmethylamino)-4-oxo-butanoic acid
SMILES [?]:
CCOC(=O)CNC(=O)CC(C(=O)O)N
InChi [?]:
InChI=1/C8H14N2O5/c1-2-15-7(12)4-10-6(11)3-5(9)8(13)14/h5H,2-4,9H2,1H3,(H,10,11)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,10,6,11,8,4,12,15,7,9,5,13,14,3/E:(13,14)/rA:15cCCOCOCNCOCCCOON/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14N2O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.53277
Area:420.081
Solvation:-3.96925
Coulombic:-76.0619
Bond Count [?]
All:14
Single:11
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:218.207
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:-3.79
LogP (Chemaxon):-4.15

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