Chemical ID: 6667729

CCOC(=O)CNC(=O)CNC(=O)OCc1ccccc1
Chemical ID:
6667729
Name [?]:
ethyl 2-(2-benzyloxycarbonylaminoacetyl)aminoacetate
SMILES [?]:
CCOC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C14H18N2O5/c1-2-20-13(18)9-15-12(17)8-16-14(19)21-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,17)(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,10,6,15,16,8,4,12,7,11,9,5,13,3,14/E:(4,5)(6,7)/rA:21nCCOCOCNCOCNCOOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.92704
Area:546.413
Solvation:-3.73329
Coulombic:-74.1065
Bond Count [?]
All:21
Single:15
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:294.303
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.89
LogP (Chemaxon):0.46

Name Annotations

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Descriptor Annotations

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