Chemical ID: 7290616

COC(=O)C1CC(CN1C(=O)C23CC4CC(C2)CC(C4)C3)O
Chemical ID:
7290616
Name [?]:
methyl 1-(1-adamantylcarbonyl)-4-hydroxy-pyrrolidine-2-carboxylate
SMILES [?]:
COC(=O)C1CC(CN1C(=O)C23CC4CC(C2)CC(C4)C3)O
InChi [?]:
InChI=1/C17H25NO4/c1-22-15(20)14-5-13(19)9-18(14)16(21)17-6-10-2-11(7-17)4-12(3-10)8-17/h10-14,19H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,18,20,6,17,13,21,8,16,14,19,7,5,3,10,12,9,22,4,11,2/E:(2,3,4)(6,7,8)(10,11,12)/rA:22cCOCOCCCCNCOCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO4
All Atoms:47
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:7.41915
Area:459.883
Solvation:-4.07793
Coulombic:-51.9088
Bond Count [?]
All:25
Single:23
Double:2
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.385
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.09
LogP (Chemaxon):1.25

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Descriptor Annotations

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