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Chemical ID: 5104719
Chemical ID:
5104719
Name [?]:
2-(1-aminocyclopentyl)carbonylamino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)C1(CCCC1)N
InChi [?]:
InChI=1/C11H20N2O3/c1-7(2)8(9(14)15)13-10(16)11(12)5-3-4-6-11/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,15,2,4,5,9,11,16,8,6,7,10/E:(1,2)(3,4)(5,6)(14,15)/rA:16cCCCCCOONCOCCCCCN/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s11s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.50538 |
Area: | 402.662 |
Solvation: | -2.56117 |
Coulombic: | -61.4774 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 228.288 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.18 |
LogP (Chemaxon): | -2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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