Chemical ID: 6653437

CC(c1ccccc1)(C(=O)O)N
Chemical ID:
6653437
Name [?]:
2-amino-2-phenyl-propanoic acid
SMILES [?]:
CC(c1ccccc1)(C(=O)O)N
InChi [?]:
InChI=1/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,3,9,2,12,10,11/E:(3,4)(5,6)(11,12)/rA:12cCCCCCCCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.17167
Area:321.799
Solvation:-1.87331
Coulombic:-41.4635
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.26
LogP (Chemaxon):-1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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