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Chemical ID: 4085520
Chemical ID:
4085520
Name [?]:
2-amino-2-phenyl-butanoic acid
SMILES [?]:
CCC(c1ccccc1)(C(=O)O)N
InChi [?]:
InChI=1/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,10,3,13,11,12/E:(4,5)(6,7)(12,13)/rA:13cCCCCCCCCCCOON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.66461 |
Area: | 339.853 |
Solvation: | -1.83173 |
Coulombic: | -41.9675 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.9 |
LogP (Chemaxon): | -0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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