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Chemical ID: 5063469
Chemical ID:
5063469
Name [?]:
2-amino-2-cyclopentyl-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C1CCCC1)(C(=O)O)N
InChi [?]:
InChI=1/C11H21NO2/c1-8(2)7-11(12,10(13)14)9-5-3-4-6-9/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,7,10,4,2,6,11,5,14,12,13/E:(1,2)(3,4)(5,6)(13,14)/rA:14cCCCCCCCCCCCOON/rB:s1;s2;s2;s4;s5;s6;s7;s8;s6s9;s5;d11;s11;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.59314 |
Area: | 362.479 |
Solvation: | -1.46882 |
Coulombic: | -41.4565 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.29 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.17 |
LogP (Chemaxon): | -0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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