Chemical ID: 6680213

CC(C)(C)OC(=O)NC(CC=C)C(=O)O
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

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