Chemical ID: 5788437

CC(C)(C)OC(=O)N1CCCC1CO
Chemical ID:
5788437
Name [?]:
tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCCC1CO
InChi [?]:
InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,11,9,13,12,6,2,8,14,7,5/E:(1,2,3)/rA:14cCCCCOCONCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H19NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.19317
Area:367.787
Solvation:-3.00149
Coulombic:-44.6645
Bond Count [?]
All:14
Single:13
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:201.263
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.16
LogP (Chemaxon):0.87

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Descriptor Annotations

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