Chemical ID: 6178308

CC(C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)C2
Chemical ID:
6178308
Name [?]:
methyl 2-(1-adamantylcarbonylamino)propanoate
SMILES [?]:
CC(C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C15H23NO3/c1-9(13(17)19-2)16-14(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12H,3-8H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,6,13,16,18,15,11,19,2,14,12,17,3,8,10,7,4,9,5/E:(3,4,5)(6,7,8)(10,11,12)/rA:19cCCCOOCNCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.81872
Area:438.354
Solvation:-2.14012
Coulombic:-41.1776
Bond Count [?]
All:21
Single:19
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:265.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):1.85

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Descriptor Annotations

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