Chemical ID: 6048526

CC(C)(C)OC(=O)N1CCC(C1)CO
Chemical ID:
6048526
Name [?]:
tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)CO
InChi [?]:
InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,9,12,13,11,6,2,8,14,7,5/E:(1,2,3)/rA:14cCCCCOCONCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H19NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.0109
Area:384.008
Solvation:-2.58929
Coulombic:-45.842
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:0.99
LogP (Chemaxon):0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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