Chemical ID: 7086772

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)F
Chemical ID:
7086772
Name [?]:
4-fluoro-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)N1CC(CC1C(=O)O)F
InChi [?]:
InChI=1/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,9,10,12,13,6,2,16,8,14,15,7,5/E:(1,2,3)(13,14)/rA:16cCCCCOCONCCCCCOOF/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16FNO4
All Atoms:32
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:5.39637
Area:386.156
Solvation:-4.25753
Coulombic:-58.3174
Bond Count [?]
All:16
Single:14
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.237
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.46
LogP (Chemaxon):0.76

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Descriptor Annotations

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