Chemical ID: 4845872

c1ccc(cc1)NC(=O)C(CC(=O)O)N2CCOCC2
Chemical ID:
4845872
Name [?]:
4-anilino-3-morpholino-4-oxo-butanoic acid
SMILES [?]:
c1ccc(cc1)NC(=O)C(CC(=O)O)N2CCOCC2
InChi [?]:
InChI=1/C14H18N2O4/c17-13(18)10-12(16-6-8-20-9-7-16)14(19)15-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,11,4,10,12,8,7,15,13,14,9,18/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:20cCCCCCCNCOCCCOONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s10;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.29527
Area:457.065
Solvation:-5.13135
Coulombic:-58.4939
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:278.304
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.04
LogP (Chemaxon):-1.43

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