Name: Name:1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-methanesulfinylpiperidine-4-carboxylic acid
Brand: Angene
SKU: AG01EKV0
Rating: 90 (10 reviews)

1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-methanesulfinylpiperidine-4-carboxylic acid

CAS No.:

2138009-53-5

Catalog Number:

AG01EKV0

Molecular Formula:

C22H23NO5S

Molecular Weight:

413.4867

Catalog Number:

AG01EKV0

Chemical Name:

1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-methanesulfinylpiperidine-4-carboxylic acid

CAS Number:

2138009-53-5

Molecular Formula:

C22H23NO5S

Molecular Weight:

413.4867

MDL Number:

MFCD28341258

IUPAC Name:

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylsulfinylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C22H23NO5S/c1-29(27)22(20(24)25)10-12-23(13-11-22)21(26)28-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,24,25)

InChI Key:

TTXHATDMHOKXKH-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)(C(=O)O)S(=O)C)OCC1c2ccccc2c2c1cccc2

Complexity:

638

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

413.13g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

413.488g/mol

Monoisotopic Mass:

413.13g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4