Chemical ID: 5291733

CC(C(=O)OC)NC(=O)NCc1ccccc1
Chemical ID:
5291733
Name [?]:
methyl 2-(benzylcarbamoylamino)propanoate
SMILES [?]:
CC(C(=O)OC)NC(=O)NCc1ccccc1
InChi [?]:
InChI=1/C12H16N2O3/c1-9(11(15)17-2)14-12(16)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,6,15,14,16,13,17,11,2,12,3,8,10,7,4,9,5/E:(4,5)(6,7)/rA:17cCCCOOCNCONCCCCCCC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.80297
Area:449.551
Solvation:-2.4358
Coulombic:-55.4299
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:236.267
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.29
LogP (Chemaxon):1.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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