Chemical ID: 7520423

CCC(C)C(=O)Nc1ccccc1C(=O)O
Chemical ID:
7520423
Name [?]:
2-(2-methylbutanoylamino)benzoic acid
SMILES [?]:
CCC(C)C(=O)Nc1ccccc1C(=O)O
InChi [?]:
InChI=1/C12H15NO3/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,10,12,9,3,13,8,5,14,7,6,15,16/E:(15,16)/rA:16cCCCCCONCCCCCCCOO/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:31
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:7.91443
Area:398.544
Solvation:-2.04915
Coulombic:-49.2405
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.65
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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