Chemical ID: 4357965

CC(C(=O)O)NC(=O)COc1ccccc1OC
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

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Descriptor Annotations

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