Chemical ID: 5278621

Cc1ccc(c(c1)NC(=O)NC(CC(C)C)C(=O)O)C
Chemical ID:
5278621
Name [?]:
2-[(2,5-dimethylphenyl)carbamoylamino]-4-methyl-pentanoic acid
SMILES [?]:
Cc1ccc(c(c1)NC(=O)NC(CC(C)C)C(=O)O)C
InChi [?]:
InChI=1/C15H22N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-12-8-10(3)5-6-11(12)4/h5-6,8-9,13H,7H2,1-4H3,(H,18,19)(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:15,16,1,20,3,4,13,7,14,2,5,6,12,17,9,8,11,18,19,10/E:(1,2)(18,19)/rA:20cCCCCCCCNCONCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s14;s12;d17;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.52874
Area:492.831
Solvation:-2.79203
Coulombic:-62.3023
Bond Count [?]
All:20
Single:15
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.347
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):2.91

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