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1257293-73-4 | 1-Azetidinecarboxylic acid, 3-[(3S)-3-hydroxy-1-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS No: 1257293-73-4 Catalog No: AG000OKB MDL No:MFCD27987075
Product Description
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
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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