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Chemical ID: 6680213
Chemical ID:
6680213
Name [?]:
2-tert-butoxycarbonylaminopent-4-enoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CC=C)C(=O)O
InChi [?]:
InChI=1/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:12,1,3,4,11,10,9,13,6,2,8,14,15,7,5/E:(2,3,4)(12,13)/rA:15cCCCCOCONCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.83653 |
Area: | 409.65 |
Solvation: | -2.40472 |
Coulombic: | -61.9269 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 215.246 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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