Name: Name:1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-4-methyl-,1,1-dimethylethyl ester, (2S,4R)-
Brand: Angene
SKU: AG00I4AJ
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-4-methyl-,1,1-dimethylethyl ester, (2S,4R)-

CAS No.:

220047-75-6

Catalog Number:

AG00I4AJ

Molecular Formula:

C11H21NO3

Molecular Weight:

215.2893

Catalog Number:

AG00I4AJ

Chemical Name:

1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-4-methyl-,1,1-dimethylethyl ester, (2S,4R)-

CAS Number:

220047-75-6

Molecular Formula:

C11H21NO3

Molecular Weight:

215.2893

MDL Number:

MFCD18071965

IUPAC Name:

tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate

InChI:

InChI=1S/C11H21NO3/c1-8-5-9(7-13)12(6-8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1

InChI Key:

MTGCHOAIXJTLDT-BDAKNGLRSA-N

SMILES:

OC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)C

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.293g/mol

Monoisotopic Mass:

215.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4