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Chemical ID: 6048643
Chemical ID:
6048643
Name [?]:
tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
InChi [?]:
InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,12,11,13,6,2,15,8,14,7,5/E:(1,2,3)/rA:15cCCCCOCONCCCCCON/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.29317 |
Area: | 395.986 |
Solvation: | -2.60648 |
Coulombic: | -53.2886 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.262 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.15 |
LogP (Chemaxon): | -0.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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