CAS 101385-93-7 | 1-Pyrrolidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester | CAS Number 101385-93-7

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101385-93-7 | 1-Pyrrolidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester

CAS No: 101385-93-7 Catalog No: AG0004CM MDL No:MFCD01631194

Product Description

Catalog Number:

AG0004CM

Chemical Name:

1-Pyrrolidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester

CAS Number:

101385-93-7

Molecular Formula:

C9H15NO3

Molecular Weight:

185.2203

MDL Number:

MFCD01631194

IUPAC Name:

tert-butyl 3-oxopyrrolidine-1-carboxylate

InChI:

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3

InChI Key:

JSOMVCDXPUXKIC-UHFFFAOYSA-N

SMILES:

O=C1CCN(C1)C(=O)OC(C)(C)C

Properties

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.223g/mol

Monoisotopic Mass:

185.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
New synthetic technologies for the construction of heterocycles and tryptamines.	Journal of the American Chemical Society 20090318
Chiral alcohol production by NADH-dependent phenylacetaldehyde reductase coupled with in situ regeneration of NADH.	European journal of biochemistry 20020501