Chemical ID: 5370081

CC(C(=O)OC)NC(=O)COc1ccccc1
Chemical ID:
5370081
Name [?]:
methyl 2-(2-phenoxyacetyl)aminopropanoate
SMILES [?]:
CC(C(=O)OC)NC(=O)COc1ccccc1
InChi [?]:
InChI=1/C12H15NO4/c1-9(12(15)16-2)13-11(14)8-17-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,15,14,16,13,17,10,2,12,8,3,7,9,4,5,11/E:(4,5)(6,7)/rA:17cCCCOOCNCOCOCCCCCC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.68812
Area:443.777
Solvation:-4.40629
Coulombic:-48.017
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:237.252
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.34
LogP (Chemaxon):0.83

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Descriptor Annotations

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