methyl 4-[(tert-butoxycarbonyl)amino]benzoate

methyl 4-[(tert-butoxycarbonyl)amino]benzoate

CAS: 164596-20-7

Formula: C13H17NO4

SMILES: COC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1

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

InChI: InChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-10-7-5-9(6-8-10)11(15)17-4/h5-8H,1-4H3,(H,14,16)

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.115758031
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XUFDEWYARHDJQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.38
Topological Polar Surface Area	64.63
Polarizability	25.87
Ring Count	1
Rotatable Bond Count	5

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