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Chemical ID: 4357965
Chemical ID:
4357965
Name [?]:
2-[2-(2-methoxyphenoxy)acetyl]aminopropanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)COc1ccccc1OC
InChi [?]:
InChI=1/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-6-4-3-5-9(10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,14,13,15,12,9,2,16,11,7,3,6,8,4,5,17,10/E:(15,16)/rA:18cCCCOONCOCOCCCCCCOC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.67235 |
Area: | 452.281 |
Solvation: | -6.63467 |
Coulombic: | -61.7467 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 253.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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