Chemical ID: 6687878

CC(C)(C)OC(=O)NC(CO)COCc1ccccc1
Chemical ID:
6687878
Name [?]:
tert-butyl [1-(benzyloxymethyl)-2-hydroxy-ethyl]aminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC(CO)COCc1ccccc1
InChi [?]:
InChI=1/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,17,19,16,20,10,14,12,15,9,6,2,8,11,7,13,5/E:(1,2,3)(5,6)(7,8)/rA:20cCCCCOCONCCOCOCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.56454
Area:500.998
Solvation:-4.9604
Coulombic:-57.7544
Bond Count [?]
All:20
Single:16
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:281.347
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.03
LogP (Chemaxon):1.91

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Descriptor Annotations

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