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159002-17-2 | Alanine, 3-amino-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 159002-17-2 Catalog No: AG00095S MDL No:MFCD00736752
Product Description
Catalog Number:
AG00095S
Chemical Name:
Alanine, 3-amino-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
159002-17-2
Molecular Formula:
C8H16N2O4
Molecular Weight:
204.2236
MDL Number:
MFCD00736752
IUPAC Name:
3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
KRJLRVZLNABMAT-UHFFFAOYSA-N
SMILES:
NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.226g/mol
Monoisotopic Mass:
204.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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