Chemical ID: 3965360

CC(c1ccc(cc1)NCC(=C)C)C(=O)O
Chemical ID:
3965360
Name [?]:
2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
SMILES [?]:
CC(c1ccc(cc1)NCC(=C)C)C(=O)O
InChi [?]:
InChI=1/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:12,13,1,4,8,5,7,10,11,2,3,6,14,9,15,16/E:(4,5)(6,7)(15,16)/rA:16cCCCCCCCCNCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s2;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.35845
Area:424.613
Solvation:-2.25688
Coulombic:-39.9779
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.78
LogP (Chemaxon):1.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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