Name: Name:1-Azetidinecarboxylic acid, 3-[(3S)-3-hydroxy-1-pyrrolidinyl]-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000OKB
Rating: 90 (10 reviews)

1-Azetidinecarboxylic acid, 3-[(3S)-3-hydroxy-1-pyrrolidinyl]-, 1,1-dimethylethyl ester

CAS No.:

1257293-73-4

Catalog Number:

AG000OKB

Molecular Formula:

C12H22N2O3

Molecular Weight:

242.3147

Catalog Number:

AG000OKB

Chemical Name:

1-Azetidinecarboxylic acid, 3-[(3S)-3-hydroxy-1-pyrrolidinyl]-, 1,1-dimethylethyl ester

CAS Number:

1257293-73-4

Molecular Formula:

C12H22N2O3

Molecular Weight:

242.3147

MDL Number:

MFCD27987075

IUPAC Name:

tert-butyl 3-[(3S)-3-hydroxypyrrolidin-1-yl]azetidine-1-carboxylate

InChI:

InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-9(7-14)13-5-4-10(15)8-13/h9-10,15H,4-8H2,1-3H3/t10-/m0/s1

InChI Key:

INNSLFVFDMOBJY-JTQLQIEISA-N

SMILES:

O[C@H]1CCN(C1)C1CN(C1)C(=O)OC(C)(C)C

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.319g/mol

Monoisotopic Mass:

242.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5