Chemical ID: 4986314

CCN(CCO)C(c1ccccc1)C(=O)O
Chemical ID:
4986314
Name [?]:
2-(ethyl-(2-hydroxyethyl)amino)-2-phenyl-acetic acid
SMILES [?]:
CCN(CCO)C(c1ccccc1)C(=O)O
InChi [?]:
InChI=1/C12H17NO3/c1-2-13(8-9-14)11(12(15)16)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,4,5,8,7,14,3,6,15,16/E:(4,5)(6,7)(15,16)/rA:16cCCNCCOCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s3;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:5.59632
Area:392.381
Solvation:-4.21319
Coulombic:-49.4858
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.73
LogP (Chemaxon):-1.1

Name Annotations

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Descriptor Annotations

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