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Chemical ID: 5370081
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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