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Chemical ID: 5292506
Chemical ID:
5292506
Name [?]:
2-[(4-fluorophenyl)methylcarbamoylamino]propanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)NCc1ccc(cc1)F
InChi [?]:
InChI=1/C11H13FN2O3/c1-7(10(15)16)14-11(17)13-6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,10,2,11,14,3,7,17,9,6,4,5,8/E:(2,3)(4,5)(15,16)/rA:17cCCCOONCONCCCCCCCF/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13FN2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.45206 |
Area: | 430.958 |
Solvation: | -3.32188 |
Coulombic: | -66.1111 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.231 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.13 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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