Home Carboxys 4-[(Carboxymethyl-amino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester

4-[(Carboxymethyl-amino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester

CAS No.:
1353983-45-5
Catalog Number:
AG01DIHD
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
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Product Description
Catalog Number:
AG01DIHD
Chemical Name:
4-[(Carboxymethyl-amino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
CAS Number:
1353983-45-5
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
MDL Number:
MFCD21092962
IUPAC Name:
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]acetic acid
InChI:
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-6-4-10(5-7-15)8-14-9-11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17)
InChI Key:
WGGIVRGDXYYMQK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)CNCC(=O)O)OC(C)(C)C
Properties
Complexity:
317  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
272.345g/mol
Monoisotopic Mass:
272.174g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties