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Chemical ID: 6178308
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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