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1788041-46-2 | 1,3-Azetidinedicarboxylic acid, 3-(aminomethyl)-, 1-(1,1-dimethylethyl) ester, hydrochloride (1:1)
CAS No: 1788041-46-2 Catalog No: AG0026CO MDL No:
Product Description
Catalog Number:
AG0026CO
Chemical Name:
1,3-Azetidinedicarboxylic acid, 3-(aminomethyl)-, 1-(1,1-dimethylethyl) ester, hydrochloride (1:1)
CAS Number:
1788041-46-2
Molecular Formula:
C10H19ClN2O4
Molecular Weight:
266.7219
IUPAC Name:
3-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H18N2O4.ClH/c1-9(2,3)16-8(15)12-5-10(4-11,6-12)7(13)14;/h4-6,11H2,1-3H3,(H,13,14);1H
InChI Key:
JEHMDWIPUWGPFX-UHFFFAOYSA-N
SMILES:
NCC1(CN(C1)C(=O)OC(C)(C)C)C(=O)O.Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.722g/mol
Monoisotopic Mass:
266.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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