Chemical ID: 4116475

CC(C)(C)OC(=O)NC(Cc1ccccc1F)C(=O)O
Chemical ID:
4116475
Name [?]:
3-(2-fluorophenyl)-2-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1ccccc1F)C(=O)O
InChi [?]:
InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,14,12,15,10,11,16,9,18,6,2,17,8,19,20,7,5/E:(1,2,3)(17,18)/rA:20cCCCCOCONCCCCCCCCFCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18FNO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.27867
Area:469.947
Solvation:-3.47
Coulombic:-65.0306
Bond Count [?]
All:20
Single:15
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.295
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.7
LogP (Chemaxon):2.58

Name Annotations

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Descriptor Annotations

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