Chemical ID: 4585369

CC(C)COc1ccc(cc1)C(=O)NCC(=O)O
Chemical ID:
4585369
Name [?]:
2-(4-isobutoxybenzoyl)aminoacetic acid
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C13H17NO4/c1-9(2)8-18-11-5-3-10(4-6-11)13(17)14-7-12(15)16/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,8,10,7,11,15,4,2,9,6,16,12,14,17,18,13,5/E:(1,2)(3,4)(5,6)(15,16)/rA:18nCCCCOCCCCCCCONCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.17034
Area:468.636
Solvation:-3.54556
Coulombic:-56.5591
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:251.278
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.8
LogP (Chemaxon):1.45

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Descriptor Annotations

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