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ethyl 4-{[(tert-butoxycarbonyl)amino]methyl}benzoate

ethyl 4-{[(tert-butoxycarbonyl)amino]methyl}benzoate

CAS: 157311-42-7

Formula: C15H21NO4

SMILES: CCOC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1

IUPAC: ethyl 4-({[(tert-butoxy)carbonyl]amino}methyl)benzoate

InChI: InChI=1S/C15H21NO4/c1-5-19-13(17)12-8-6-11(7-9-12)10-16-14(18)20-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 279.14705816
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZHBYJFBKZGWAFC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.18
Topological Polar Surface Area 64.63
Polarizability 29.55
Ring Count 1
Rotatable Bond Count 7

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