Chemical ID: 4431066

CC(C)C(C(=O)O)NC(=O)c1ccccc1O
Chemical ID:
4431066
Name [?]:
2-(2-hydroxybenzoyl)amino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)c1ccccc1O
InChi [?]:
InChI=1/C12H15NO4/c1-7(2)10(12(16)17)13-11(15)8-5-3-4-6-9(8)14/h3-7,10,14H,1-2H3,(H,13,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,15,2,11,16,4,9,5,8,17,10,6,7/E:(1,2)(16,17)/rA:17cCCCCCOONCOCCCCCCO/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.48193
Area:411.317
Solvation:-3.80099
Coulombic:-65.0616
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.252
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.01
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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