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Chemical ID: 7228404
Chemical ID:
7228404
Name [?]:
1-azaniumyl-3-methyl-cyclopentane-1-carboxylate
SMILES [?]:
CC1CCC(C1)(C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C7H13NO2/c1-5-2-3-7(8,4-5)6(9)10/h5H,2-4,8H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,2,7,5,10,8,9/E:(9,10)/rA:10cCCCCCCCOO-N+/rB:s1;s2;s3;s4;s2s5;s5;d7;s7;s5;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H13NO2 |
All Atoms: | 23 |
Heavy Atoms: | 10 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -28.4985 |
Area: | 295.2 |
Solvation: | -35.8785 |
Coulombic: | -5.71386 |
Bond Count [?]
All: | 10 |
Single: | 9 |
Double: | 1 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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