Chemical ID: 5126568

COC(=O)CNC(=O)c1ccccc1N
Chemical ID:
5126568
Name [?]:
methyl 2-(2-aminobenzoyl)aminoacetate
SMILES [?]:
COC(=O)CNC(=O)c1ccccc1N
InChi [?]:
InChI=1/C10H12N2O3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6,11H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,5,9,14,3,7,15,6,4,8,2/rA:15nCOCOCNCOCCCCCCN/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.28432
Area:393.58
Solvation:-2.55519
Coulombic:-57.605
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:208.214
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.74
LogP (Chemaxon):0.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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