2-{4-[(tert-butoxycarbonyl)amino]phenyl}propanoic acid

2-{4-[(tert-butoxycarbonyl)amino]phenyl}propanoic acid

CAS: 437982-68-8

Formula: C14H19NO4

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

IUPAC: 2-(4-{[(tert-butoxy)carbonyl]amino}phenyl)propanoic acid

InChI: InChI=1/C14H19NO4/c1-9(12(16)17)10-5-7-11(8-6-10)15-13(18)19-14(2,3)4/h5-9H,1-4H3,(H,15,18)(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	DPEXSBVYSDUSEF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.23
Topological Polar Surface Area	75.63
Polarizability	27.48
Ring Count	1
Rotatable Bond Count	5

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