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Chemical ID: 4845872
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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