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4-[2-amino-3-(tert-butoxy)-3-oxopropyl]benzoic acid

4-[2-amino-3-(tert-butoxy)-3-oxopropyl]benzoic acid

CAS: 132690-91-6

Formula: C14H19NO4

SMILES: CC(C)(C)OC(=O)C(N)CC1=CC=C(C=C1)C(O)=O

IUPAC: 4-[2-amino-3-(tert-butoxy)-3-oxopropyl]benzoic acid

InChI: InChI=1/C14H19NO4/c1-14(2,3)19-13(18)11(15)8-9-4-6-10(7-5-9)12(16)17/h4-7,11H,8,15H2,1-3H3,(H,16,17)

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.131408096
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CWURYJUXJKXNGE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.95
Topological Polar Surface Area 89.62
Polarizability 27.85
Ring Count 1
Rotatable Bond Count 6

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