Chemical ID: 4085520

CCC(c1ccccc1)(C(=O)O)N
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

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