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Chemical ID: 6048000
Chemical ID:
6048000
Name [?]:
1-tert-butoxycarbonylpyrrolidine-3-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)C(=O)O
InChi [?]:
InChI=1/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,12,11,13,6,2,8,14,15,7,5/E:(1,2,3)(12,13)/rA:15cCCCCOCONCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.3813 |
Area: | 394.578 |
Solvation: | -2.48316 |
Coulombic: | -54.7731 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.246 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.88 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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