methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-{4-[2-(prop-2-yn-1-yloxy)ethoxy]phenyl}propanoate

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-{4-[2-(prop-2-yn-1-yloxy)ethoxy]phenyl}propanoate

Formula: C20H27NO6

SMILES: COC(=O)[C@H](CC1=CC=C(OCCOCC#C)C=C1)NC(=O)OC(C)(C)C

IUPAC: methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[2-(prop-2-yn-1-yloxy)ethoxy]phenyl}propanoate

InChI: InChI=1S/C20H27NO6/c1-6-11-25-12-13-26-16-9-7-15(8-10-16)14-17(18(22)24-5)21-19(23)27-20(2,3)4/h1,7-10,17H,11-14H2,2-5H3,(H,21,23)/t17-/m0/s1

Composition: C (63.65%), H (7.21%), N (3.71%), O (25.43%)

Molar Mass: 377.437

Atom Count: 54

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	377.183837593
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VIUOFGMUAMCRQW-KRWDZBQOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.85
Topological Polar Surface Area	83.09
Polarizability	39.09
Ring Count	1
Rotatable Bond Count	12

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C20H27NO6		$359.10-$1,209.60$359.10$718.20$1,209.60