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143766-89-6 | β-Alanine, N-(2-carboxyethyl)-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 143766-89-6 Catalog No: AG001IC4 MDL No:MFCD11226793
Product Description
Catalog Number:
AG001IC4
Chemical Name:
β-Alanine, N-(2-carboxyethyl)-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
143766-89-6
Molecular Formula:
C11H19NO6
Molecular Weight:
261.2717
MDL Number:
MFCD11226793
IUPAC Name:
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C11H19NO6/c1-11(2,3)18-10(17)12(6-4-8(13)14)7-5-9(15)16/h4-7H2,1-3H3,(H,13,14)(H,15,16)
InChI Key:
NIFJJASPEGEHDS-UHFFFAOYSA-N
SMILES:
O=C(N(CCC(=O)O)CCC(=O)O)OC(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.274g/mol
Monoisotopic Mass:
261.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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