Chemical ID: 7346169

CC(C)CC(C(=O)O)NC(=O)C1Cc2ccccc2CN1
Chemical ID:
7346169
Name [?]:
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)C1Cc2ccccc2CN1
InChi [?]:
InChI=1/C16H22N2O3/c1-10(2)7-14(16(20)21)18-15(19)13-8-11-5-3-4-6-12(11)9-17-13/h3-6,10,13-14,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,18,4,13,20,2,14,19,12,5,10,6,21,9,11,7,8/E:(1,2)(20,21)/rA:21cCCCCCCOONCOCCCCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:43
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.82972
Area:495.982
Solvation:-3.56983
Coulombic:-57.8304
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.0
LogP (Chemaxon):-0.81

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Descriptor Annotations

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