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Chemical ID: 4849131
Chemical ID:
4849131
Name [?]:
methyl 3-benzamidopropanoate
SMILES [?]:
COC(=O)CCNC(=O)c1ccccc1
InChi [?]:
InChI=1/C11H13NO3/c1-15-10(13)7-8-12-11(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,5,6,10,3,8,7,4,9,2/E:(3,4)(5,6)/rA:15nCOCOCCNCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26426 |
Area: | 408.455 |
Solvation: | -2.94711 |
Coulombic: | -40.2944 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.29 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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