Chemical ID: 4172618

CC(C)(CO)N1CC1C(=O)OCc2ccccc2
Chemical ID:
4172618
Name [?]:
benzyl 1-(2-hydroxy-1,1-dimethyl-ethyl)aziridine-2-carboxylate
SMILES [?]:
CC(C)(CO)N1CC1C(=O)OCc2ccccc2
InChi [?]:
InChI=1/C14H19NO3/c1-14(2,10-16)15-8-12(15)13(17)18-9-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,14,18,7,12,4,13,8,9,2,6,5,10,11/E:(1,2)(4,5)(6,7)/rA:18cCCCCONCCCOOCCCCCCC/rB:s1;s2;s2;s4;s2;s6;s6s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.69506
Area:433.923
Solvation:-3.15301
Coulombic:-42.7512
Bond Count [?]
All:19
Single:15
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.54
LogP (Chemaxon):1.57

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Descriptor Annotations

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