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Chemical ID: 4967817
Chemical ID:
4967817
Name [?]:
isopropyl 1-aminocyclopentane-1-carboxylate
SMILES [?]:
CC(C)OC(=O)C1(CCCC1)N
InChi [?]:
InChI=1/C9H17NO2/c1-7(2)12-8(11)9(10)5-3-4-6-9/h7H,3-6,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,10,8,11,2,5,7,12,6,4/E:(1,2)(3,4)(5,6)/rA:12nCCCOCOCCCCCN/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16611 |
Area: | 345.947 |
Solvation: | -1.48255 |
Coulombic: | -32.5648 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.03 |
LogP (Chemaxon): | 0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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