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Chemical ID: 4979837
Chemical ID:
4979837
Name [?]:
1-amino-2-butyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CCCCC1CCCC1(C(=O)O)N
InChi [?]:
InChI=1/C10H19NO2/c1-2-3-5-8-6-4-7-10(8,11)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,7,4,6,8,5,10,9,13,11,12/E:(12,13)/rA:13cCCCCCCCCCCOON/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.49898 |
Area: | 364.29 |
Solvation: | -1.60827 |
Coulombic: | -41.1049 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 185.263 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.33 |
LogP (Chemaxon): | -0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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