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Chemical ID: 7086772
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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