Chemical ID: 6144351

COC(=O)CNC(=O)CNC(=O)OCc1ccccc1
Chemical ID:
6144351
Name [?]:
methyl 2-(2-benzyloxycarbonylaminoacetyl)aminoacetate
SMILES [?]:
COC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C13H16N2O5/c1-19-12(17)8-14-11(16)7-15-13(18)20-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,9,5,14,15,7,3,11,6,10,8,4,12,2,13/E:(3,4)(5,6)/rA:20nCOCOCNCOCNCOOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.11241
Area:517.272
Solvation:-3.81938
Coulombic:-73.795
Bond Count [?]
All:20
Single:14
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:280.277
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.47
LogP (Chemaxon):0.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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