Text Search
Structure Search

3-[(tert-butoxycarbonyl)amino]-2-(naphthalen-1-yl)propanoic acid

3-[(tert-butoxycarbonyl)amino]-2-(naphthalen-1-yl)propanoic acid

CAS: 1310680-21-7

Formula: C18H21NO4

SMILES: CC(C)(C)OC(=O)NCC(C(O)=O)C1=CC=CC2=CC=CC=C12

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}-2-(naphthalen-1-yl)propanoic acid

InChI: InChI=1/C18H21NO4/c1-18(2,3)23-17(22)19-11-15(16(20)21)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)

Composition: C (68.55%), H (6.71%), N (4.44%), O (20.29%)

Molar Mass: 315.369

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 315.14705816
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CBFFDJYYWUYODE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.7
Topological Polar Surface Area 75.63
Polarizability 34.97
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1310680-21-7 $850.00$850.00
Request Quote