Home Carbonyls 3-{[(tert-butoxy)carbonyl]amino}-2-(hydroxymethyl)propanoic acid

3-{[(tert-butoxy)carbonyl]amino}-2-(hydroxymethyl)propanoic acid

CAS No.:
1691243-32-9
Catalog Number:
AG01B8I9
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
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Product Description
Catalog Number:
AG01B8I9
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-2-(hydroxymethyl)propanoic acid
CAS Number:
1691243-32-9
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
MDL Number:
MFCD24656705
IUPAC Name:
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)
InChI Key:
OHPPTUXGTIYITE-UHFFFAOYSA-N
SMILES:
OCC(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:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties