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Chemical ID: 5341969
Chemical ID:
5341969
Name [?]:
2-amino-2-methyl-3-phenyl-propanoic acid
SMILES [?]:
CC(Cc1ccccc1)(C(=O)O)N
InChi [?]:
InChI=1/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,3,4,10,2,13,11,12/E:(3,4)(5,6)(12,13)/rA:13cCCCCCCCCCCOON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.76199 |
Area: | 343.478 |
Solvation: | -1.82496 |
Coulombic: | -41.1267 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -1.27 |
LogP (Chemaxon): | -0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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