Chemical ID: 5097978

CCC(c1ccc(cc1)C(C)(C)C)(C(=O)O)N
Chemical ID:
5097978
Name [?]:
2-amino-2-(4-tert-butylphenyl)-butanoic acid
SMILES [?]:
CCC(c1ccc(cc1)C(C)(C)C)(C(=O)O)N
InChi [?]:
InChI=1/C14H21NO2/c1-5-14(15,12(16)17)11-8-6-10(7-9-11)13(2,3)4/h6-9H,5,15H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,13,2,6,8,5,9,7,4,14,10,3,17,15,16/E:(2,3,4)(6,7)(8,9)(16,17)/rA:17cCCCCCCCCCCCCCCOON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s10;s3;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.61881
Area:421.623
Solvation:-1.92177
Coulombic:-42.4274
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.91
LogP (Chemaxon):0.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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