Name: Name:1-(Tert-Butoxycarbonyl)-2H-Spiro[Benzofuran-3,4-Piperidine]-2-Carboxylic Acid
Brand: Angene
SKU: AG00IHRP
Rating: 90 (10 reviews)

1-(Tert-Butoxycarbonyl)-2H-Spiro[Benzofuran-3,4-Piperidine]-2-Carboxylic Acid

CAS No.:

937254-18-7

Catalog Number:

AG00IHRP

Molecular Formula:

C18H23NO5

Molecular Weight:

333.3789

Catalog Number:

AG00IHRP

Chemical Name:

1-(Tert-Butoxycarbonyl)-2H-Spiro[Benzofuran-3,4-Piperidine]-2-Carboxylic Acid

CAS Number:

937254-18-7

Molecular Formula:

C18H23NO5

Molecular Weight:

333.3789

MDL Number:

MFCD14581178

IUPAC Name:

1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylic acid

InChI:

InChI=1S/C18H23NO5/c1-17(2,3)24-16(22)19-10-8-18(9-11-19)12-6-4-5-7-13(12)23-14(18)15(20)21/h4-7,14H,8-11H2,1-3H3,(H,20,21)

InChI Key:

SOUVBEMXUNRGMC-UHFFFAOYSA-N

SMILES:

OC(=O)C1Oc2c(C31CCN(CC3)C(=O)OC(C)(C)C)cccc2

Complexity:

504

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

333.384g/mol

Monoisotopic Mass:

333.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7