Chemical ID: 4639105

COC(=O)CNC(=O)c1ccccc1
Chemical ID:
4639105
Name [?]:
methyl 2-benzamidoacetate
SMILES [?]:
COC(=O)CNC(=O)c1ccccc1
InChi [?]:
InChI=1/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,5,9,3,7,6,4,8,2/E:(3,4)(5,6)/rA:14nCOCOCNCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.16027
Area:380.916
Solvation:-2.36263
Coulombic:-41.7645
Bond Count [?]
All:14
Single:9
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:193.199
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.13
LogP (Chemaxon):0.52

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Descriptor Annotations

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