Name: Name:benzyl 3-({[(tert-butoxy)carbonyl]amino}methyl)-3-hydroxyazetidine-1-carboxylate
Brand: Angene
SKU: AG00IKYP
Rating: 90 (10 reviews)

benzyl 3-({[(tert-butoxy)carbonyl]amino}methyl)-3-hydroxyazetidine-1-carboxylate

CAS No.:

934665-23-3

Catalog Number:

AG00IKYP

Molecular Formula:

C17H24N2O5

Molecular Weight:

336.3829

Catalog Number:

AG00IKYP

Chemical Name:

benzyl 3-({[(tert-butoxy)carbonyl]amino}methyl)-3-hydroxyazetidine-1-carboxylate

CAS Number:

934665-23-3

Molecular Formula:

C17H24N2O5

Molecular Weight:

336.3829

MDL Number:

MFCD26389452

IUPAC Name:

benzyl 3-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidine-1-carboxylate

InChI:

InChI=1S/C17H24N2O5/c1-16(2,3)24-14(20)18-10-17(22)11-19(12-17)15(21)23-9-13-7-5-4-6-8-13/h4-8,22H,9-12H2,1-3H3,(H,18,20)

InChI Key:

AQRVFNPLGPHVGK-UHFFFAOYSA-N

SMILES:

O=C(N1CC(C1)(O)CNC(=O)OC(C)(C)C)OCc1ccccc1

Complexity:

448

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.388g/mol

Monoisotopic Mass:

336.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3