Chemical ID: 4849131

COC(=O)CCNC(=O)c1ccccc1
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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