Chemical ID: 4903433

CCC1CCCCN1C(=O)NC(C(C)CC)C(=O)O
Chemical ID:
4903433
Name [?]:
2-[(2-ethyl-1-piperidyl)carbonylamino]-3-methyl-pentanoic acid
SMILES [?]:
CCC1CCCCN1C(=O)NC(C(C)CC)C(=O)O
InChi [?]:
InChI=1/C14H26N2O3/c1-4-10(3)12(13(17)18)15-14(19)16-9-7-6-8-11(16)5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,1,14,15,2,5,6,4,7,13,3,12,17,9,11,8,18,19,10/E:(17,18)/rA:19cCCCCCCCNCONCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;s12;s13;s13;s15;s12;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H26N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:9.09953
Area:463.152
Solvation:-2.47927
Coulombic:-58.3797
Bond Count [?]
All:19
Single:17
Double:2
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:270.368
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):2.39

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Descriptor Annotations

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