3-{3-[(tert-butoxycarbonyl)amino]phenyl}propanoic acid

3-{3-[(tert-butoxycarbonyl)amino]phenyl}propanoic acid

CAS: 149506-04-7

Formula: C14H19NO4

SMILES: CC(C)(C)OC(=O)NC1=CC=CC(CCC(O)=O)=C1

IUPAC: 3-(3-{[(tert-butoxy)carbonyl]amino}phenyl)propanoic acid

InChI: InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11-6-4-5-10(9-11)7-8-12(16)17/h4-6,9H,7-8H2,1-3H3,(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	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	JZVULXRCJQKJOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.26
Topological Polar Surface Area	75.63
Polarizability	27.48
Ring Count	1
Rotatable Bond Count	6

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97%	<7 Days	149506-04-7		$54.23-$914.43$54.23$56.10$106.59$168.30$417.01$617.10$914.43

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