Chemical ID: 5084324

COC(=O)CNC(=O)OCc1ccccc1
Chemical ID:
5084324
Name [?]:
methyl 2-benzyloxycarbonylaminoacetate
SMILES [?]:
COC(=O)CNC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C11H13NO4/c1-15-10(13)7-12-11(14)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,5,10,11,3,7,6,4,8,2,9/E:(3,4)(5,6)/rA:16nCOCOCNCOOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.02945
Area:432.155
Solvation:-2.77441
Coulombic:-53.3353
Bond Count [?]
All:16
Single:11
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:223.225
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.29
LogP (Chemaxon):1.19

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Descriptor Annotations

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