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Chemical ID: 6659769
Chemical ID:
6659769
Name [?]:
2-amino-2-cyclopropyl-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C2CC2)(C(=O)O)N
InChi [?]:
InChI=1/C11H13NO2/c12-11(10(13)14,9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,4,8,11,7,14,12,13/E:(2,3)(4,5)(6,7)(13,14)/rA:14cCCCCCCCCCCCOON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s8s9;s7;d11;s11;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.09874 |
Area: | 352.698 |
Solvation: | -1.7187 |
Coulombic: | -42.1078 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.226 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.95 |
LogP (Chemaxon): | -0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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