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Chemical ID: 6678782
Chemical ID:
6678782
Name [?]:
methyl 2-(methoxycarbonylmethylamino)benzoate
SMILES [?]:
COC(=O)CNc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C11H13NO4/c1-15-10(13)7-12-9-6-4-3-5-8(9)11(14)16-2/h3-6,12H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,10,9,11,8,5,12,7,3,13,6,4,14,2,15/rA:16nCOCOCNCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03395 |
Area: | 408.92 |
Solvation: | -3.18904 |
Coulombic: | -50.6815 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 223.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.74 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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