Chemical ID: 5163351

CC(c1ccc2cc(c(cc2c1)OC)OC)NCC(=O)O
Chemical ID:
5163351
Name [?]:
2-[1-(6,7-dimethoxy-2-naphthyl)ethylamino]acetic acid
SMILES [?]:
CC(c1ccc2cc(c(cc2c1)OC)OC)NCC(=O)O
InChi [?]:
InChI=1/C16H19NO4/c1-10(17-9-16(18)19)11-4-5-12-7-14(20-2)15(21-3)8-13(12)6-11/h4-8,10,17H,9H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,14,4,5,12,7,10,18,2,3,6,11,8,9,19,17,20,21,15,13/E:(18,19)/rA:21cCCCCCCCCCCCCOCOCNCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s9;s13;s8;s15;s2;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:6.25681
Area:496.711
Solvation:-6.16096
Coulombic:-49.3973
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.326
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.27
LogP (Chemaxon):-0.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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