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1217757-67-9 | Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(hydroxymethyl)-, (2S)-
CAS No: 1217757-67-9 Catalog No: AG0015YK MDL No:
Product Description
Catalog Number:
AG0015YK
Chemical Name:
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(hydroxymethyl)-, (2S)-
CAS Number:
1217757-67-9
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
IUPAC Name:
(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-4-6(5-11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1
InChI Key:
OHPPTUXGTIYITE-LURJTMIESA-N
SMILES:
OC[C@@H](C(=O)O)CNC(=O)OC(C)(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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