Name: Name:1-[(tert-butoxy)carbonyl]-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG01EL45
Rating: 90 (10 reviews)

1-[(tert-butoxy)carbonyl]-3-(fluoromethyl)pyrrolidine-3-carboxylic acid

CAS No.:

708274-52-6

Catalog Number:

AG01EL45

Molecular Formula:

C11H18FNO4

Molecular Weight:

247.2633

Catalog Number:

AG01EL45

Chemical Name:

1-[(tert-butoxy)carbonyl]-3-(fluoromethyl)pyrrolidine-3-carboxylic acid

CAS Number:

708274-52-6

Molecular Formula:

C11H18FNO4

Molecular Weight:

247.2633

IUPAC Name:

3-(fluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-5-4-11(6-12,7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)

InChI Key:

DWRBUHFHONCAED-UHFFFAOYSA-N

SMILES:

FCC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.266g/mol

Monoisotopic Mass:

247.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9