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4-{3-[(tert-butoxycarbonyl)amino]phenyl}butanoic acid

4-{3-[(tert-butoxycarbonyl)amino]phenyl}butanoic acid

CAS: 101555-61-7

Formula: C15H21NO4

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

IUPAC: 4-(3-{[(tert-butoxy)carbonyl]amino}phenyl)butanoic acid

InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12-8-4-6-11(10-12)7-5-9-13(17)18/h4,6,8,10H,5,7,9H2,1-3H3,(H,16,19)(H,17,18)

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 4
Hydrogen Bond Donor Count 2
InChIKey QWKOUTCNYOGNAK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.86
Topological Polar Surface Area 75.63
Polarizability 29.32
Ring Count 1
Rotatable Bond Count 7

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