Chemical ID: 7124079

Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)[O-]
Chemical ID:
7124079
Name [?]:
3-methyl-2-(4-methylbenzoyl)amino-butanoate
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)[O-]
InChi [?]:
InChI=1/C13H17NO3/c1-8(2)11(13(16)17)14-12(15)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,15)(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:13,14,1,3,7,4,6,12,2,5,11,8,15,10,9,16,17/E:(1,2)(4,5)(6,7)(16,17)/rA:17cCCCCCCCCONCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s12;s11;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16NO3-
All Atoms:33
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-33.1804
Area:426.667
Solvation:-43.8471
Coulombic:-21.9994
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.271
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.95
LogP (Chemaxon):2.36

Name Annotations

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Descriptor Annotations

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