Chemical ID: 4979881

CCC(CC)(C(=O)O)Nc1cccc(c1)C
Chemical ID:
4979881
Name [?]:
2-ethyl-2-(m-tolylamino)butanoic acid
SMILES [?]:
CCC(CC)(C(=O)O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C13H19NO2/c1-4-13(5-2,12(15)16)14-11-8-6-7-10(3)9-11/h6-9,14H,4-5H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,12,13,11,15,14,10,6,3,9,7,8/E:(1,2)(4,5)(15,16)/rA:16nCCCCCCOONCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s3;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.20003
Area:398.06
Solvation:-1.75147
Coulombic:-41.2961
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.84
LogP (Chemaxon):2.54

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Descriptor Annotations

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