Chemical ID: 5267218

Cc1ccc(c(c1)NC(=O)NC(C)C(=O)OC)C
Chemical ID:
5267218
Name [?]:
methyl 2-[(2,5-dimethylphenyl)carbamoylamino]propanoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)NC(C)C(=O)OC)C
InChi [?]:
InChI=1/C13H18N2O3/c1-8-5-6-9(2)11(7-8)15-13(17)14-10(3)12(16)18-4/h5-7,10H,1-4H3,(H2,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,13,17,3,4,7,2,5,12,6,14,9,11,8,15,10,16/rA:18cCCCCCCCNCONCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s12;d14;s14;s16;s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.97335
Area:455.664
Solvation:-2.41825
Coulombic:-54.0354
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:250.294
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.81
LogP (Chemaxon):1.74

Name Annotations

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Descriptor Annotations

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