Chemical ID: 4896972

Cc1ccc(c(c1)NC(=O)NC(C)C(=O)O)C
Chemical ID:
4896972
Name [?]:
2-[(2,5-dimethylphenyl)carbamoylamino]propanoic acid
SMILES [?]:
Cc1ccc(c(c1)NC(=O)NC(C)C(=O)O)C
InChi [?]:
InChI=1/C12H16N2O3/c1-7-4-5-8(2)10(6-7)14-12(17)13-9(3)11(15)16/h4-6,9H,1-3H3,(H,15,16)(H2,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,17,13,3,4,7,2,5,12,6,14,9,11,8,15,16,10/E:(15,16)/rA:17cCCCCCCCNCONCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s12;d14;s14;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.39627
Area:430.943
Solvation:-2.37729
Coulombic:-61.7821
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:236.267
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.49
LogP (Chemaxon):1.71

Name Annotations

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Descriptor Annotations

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