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886364-58-5 | 3-(3-BOC-AMINO-AZETIDIN-1-YL)-2-METHYL-PROPANOIC ACID METHYL ESTER
CAS No: 886364-58-5 Catalog No: AG004A1T MDL No:
Product Description
Catalog Number:
AG004A1T
Chemical Name:
3-(3-BOC-AMINO-AZETIDIN-1-YL)-2-METHYL-PROPANOIC ACID METHYL ESTER
CAS Number:
886364-58-5
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
IUPAC Name:
methyl 2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]propanoate
InChI:
InChI=1S/C13H24N2O4/c1-9(11(16)18-5)6-15-7-10(8-15)14-12(17)19-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,14,17)
InChI Key:
HKMPOZNDOMNVBC-UHFFFAOYSA-N
SMILES:
COC(=O)C(CN1CC(C1N)C(=O)OC(C)(C)C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.345g/mol
Monoisotopic Mass:
272.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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