Chemical ID: 5285915

Cc1ccc(cc1)CNC(=O)NC(C(C)C)C(=O)O
Chemical ID:
5285915
Name [?]:
3-methyl-2-(p-tolylmethylcarbamoylamino)butanoic acid
SMILES [?]:
Cc1ccc(cc1)CNC(=O)NC(C(C)C)C(=O)O
InChi [?]:
InChI=1/C14H20N2O3/c1-9(2)12(13(17)18)16-14(19)15-8-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:15,16,1,3,7,4,6,8,14,2,5,13,17,10,9,12,18,19,11/E:(1,2)(4,5)(6,7)(17,18)/rA:19cCCCCCCCCNCONCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s14;s13;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.1642
Area:477.025
Solvation:-2.76143
Coulombic:-63.3498
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:264.32
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.06
LogP (Chemaxon):2.38

Name Annotations

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Descriptor Annotations

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