Chemical ID: 4085052

CCOC(=O)C(Cc1ccccc1)N2CC2C(=O)N
Chemical ID:
4085052
Name [?]:
ethyl 2-(2-carbamoylaziridin-1-yl)-3-phenyl-propanoate
SMILES [?]:
CCOC(=O)C(Cc1ccccc1)N2CC2C(=O)N
InChi [?]:
InChI=1/C14H18N2O3/c1-2-19-14(18)11(16-9-12(16)13(15)17)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H2,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,7,15,8,6,16,17,4,19,14,18,5,3/E:(4,5)(6,7)/rA:19cCCOCOCCCCCCCCNCCCON/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;s14s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:7.86578
Area:431.297
Solvation:-2.91664
Coulombic:-51.1879
Bond Count [?]
All:20
Single:15
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.304
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.71
LogP (Chemaxon):0.99

Name Annotations

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Descriptor Annotations

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