Chemical ID: 5282447

CC1CCCCN1C(=O)NC(CC(C)C)C(=O)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue