Chemical ID: 4894900

Cc1cc(cc(c1)NC(=O)NC(C(C)C)C(=O)O)C
Chemical ID:
4894900
Name [?]:
2-[(3,5-dimethylphenyl)carbamoylamino]-3-methyl-butanoic acid
SMILES [?]:
Cc1cc(cc(c1)NC(=O)NC(C(C)C)C(=O)O)C
InChi [?]:
InChI=1/C14H20N2O3/c1-8(2)12(13(17)18)16-14(19)15-11-6-9(3)5-10(4)7-11/h5-8,12H,1-4H3,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:14,15,1,19,3,7,5,13,2,4,6,12,16,9,8,11,17,18,10/E:(1,2)(3,4)(6,7)(9,10)(17,18)/rA:19cCCCCCCCNCONCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s13;s12;d16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.36437
Area:468.852
Solvation:-2.35693
Coulombic:-62.5159
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.32
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.35
LogP (Chemaxon):3.23

Name Annotations

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Descriptor Annotations

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