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Chemical ID: 4960913

Chemical ID:

4960913

Name [?]:

2-amino-3-(3,5-dimethylphenyl)-propanoic acid

SMILES [?]:

Cc1cc(cc(c1)CC(C(=O)O)N)C

InChi [?]:

InChI=1/C11H15NO2/c1-7-3-8(2)5-9(4-7)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)

InChi Info:

AuxInfo=1/1/N:1,14,3,7,5,8,2,4,6,9,10,13,11,12/E:(1,2)(4,5)(7,8)(13,14)/rA:14cCCCCCCCCCCOONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s9;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₅NO₂
All Atoms:	14
Heavy Atoms:	14
Chiral Atoms:	1

ZAP Information [?]

Total:	7.42367
Area:	379.55
Solvation:	-2.06509
Coulombic:	-39.9497

Bond Count [?]

All:	14
Single:	10
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	193.242
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	-0.5
LogP (Chemaxon):	-0.21

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value