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1011479-72-3 | 1,3-Azetidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1011479-72-3 Catalog No: AG0003U2 MDL No:MFCD18207531
Product Description
Catalog Number:
AG0003U2
Chemical Name:
1,3-Azetidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1011479-72-3
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
MDL Number:
MFCD18207531
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 3-aminoazetidine-1,3-dicarboxylate
InChI:
InChI=1S/C11H20N2O4/c1-5-16-8(14)11(12)6-13(7-11)9(15)17-10(2,3)4/h5-7,12H2,1-4H3
InChI Key:
MMEIVVYGFADKTL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(N)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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