Chemical ID: 6048468

CC(C)(C)OC(=O)N1CCCCC1CC(=O)O
Chemical ID:
6048468
Name [?]:
2-(1-tert-butoxycarbonyl-2-piperidyl)acetic acid
SMILES [?]:
CC(C)(C)OC(=O)N1CCCCC1CC(=O)O
InChi [?]:
InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-7-5-4-6-9(13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,9,14,13,15,6,2,8,16,17,7,5/E:(1,2,3)(14,15)/rA:17cCCCCOCONCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.65558
Area:404.124
Solvation:-2.44752
Coulombic:-55.2074
Bond Count [?]
All:17
Single:15
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.299
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.76
LogP (Chemaxon):1.44

Name Annotations

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Descriptor Annotations

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