Chemical ID: 5157361

CC(C)(CNc1ccc(cc1)C(=O)OC)N
Chemical ID:
5157361
Name [?]:
methyl 4-(2-amino-2-methyl-propyl)aminobenzoate
SMILES [?]:
CC(C)(CNc1ccc(cc1)C(=O)OC)N
InChi [?]:
InChI=1/C12H18N2O2/c1-12(2,13)8-14-10-6-4-9(5-7-10)11(15)16-3/h4-7,14H,8,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,15,8,10,7,11,4,9,6,12,2,16,5,13,14/E:(1,2)(4,5)(6,7)/rA:16nCCCCNCCCCCCCOOCN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.49086
Area:428.02
Solvation:-2.20963
Coulombic:-44.0194
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.284
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.71
LogP (Chemaxon):0.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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