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Chemical ID: 5282447
Chemical ID:
5282447
Name [?]:
4-methyl-2-[(2-methyl-1-piperidyl)carbonylamino]pentanoic acid
SMILES [?]:
CC1CCCCN1C(=O)NC(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C13H24N2O3/c1-9(2)8-11(12(16)17)14-13(18)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:14,15,1,4,5,3,6,12,13,2,11,16,8,10,7,17,18,9/E:(1,2)(16,17)/rA:18cCCCCCCNCONCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;s12;s13;s13;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.75574 |
Area: | 448.901 |
Solvation: | -2.46679 |
Coulombic: | -57.8532 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.341 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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