Text Search
Structure Search

2-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoic acid

CAS: 174732-96-8

Formula: C14H19NO5

SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC(O)=C1)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-(3-hydroxyphenyl)propanoic acid

InChI: InChI=1/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-5-4-6-10(16)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)

Composition: C (59.78%), H (6.81%), N (4.98%), O (28.44%)

Molar Mass: 281.308

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.126322716
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey FABANBOJFXYSHH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.97
Topological Polar Surface Area 95.86
Polarizability 28.14
Ring Count 1
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 174732-96-8 Quote Only
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 174732-96-8 Quote Only
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 174732-96-8 $51.84-$233.28$51.84$77.76$233.28
Request Quote