Chemical ID: 7087409

CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1F
Chemical ID:
7087409
Name [?]:
3-(2-fluorophenyl)-3-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1F
InChi [?]:
InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)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:1,3,4,16,17,15,18,10,14,19,9,11,6,2,20,8,12,13,7,5/E:(1,2,3)(17,18)/rA:20cCCCCOCONCCCOOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s9;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18FNO4
All Atoms:38
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.05838
Area:469.044
Solvation:-3.66771
Coulombic:-63.6578
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:2.69
LogP (Chemaxon):2.38

Name Annotations

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Descriptor Annotations

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