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Chemical ID: 6048526
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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