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4-({[2-(tert-butoxy)-2-oxoethyl]amino}methyl)benzoic acid

4-({[2-(tert-butoxy)-2-oxoethyl]amino}methyl)benzoic acid

CAS: 210963-04-5

Formula: C14H19NO4

SMILES: CC(C)(C)OC(=O)CNCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({[2-(tert-butoxy)-2-oxoethyl]amino}methyl)benzoic acid

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

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 0
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 OSRMCXFZHOEUIF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.22
Topological Polar Surface Area 75.63
Polarizability 27.85
Ring Count 1
Rotatable Bond Count 7

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