Name: Name:1-Pyrrolidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester
Brand: Angene
SKU: AG000SE0
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester

CAS No.:

1262409-80-2

Catalog Number:

AG000SE0

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

Catalog Number:

AG000SE0

Chemical Name:

1-Pyrrolidinecarboxylic acid, 3-hydroxy-3-methyl-, phenylmethyl ester

CAS Number:

1262409-80-2

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

MDL Number:

MFCD18375156

IUPAC Name:

benzyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate

InChI:

InChI=1S/C13H17NO3/c1-13(16)7-8-14(10-13)12(15)17-9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3

InChI Key:

NNPKZONNGQHEFW-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(C1)(C)O)OCc1ccccc1

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.283g/mol

Monoisotopic Mass:

235.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3