Home Other Building Blocks 2-(([(TERT-BUTOXY)CARBONYL]AMINO)OXY)-3-PHENYLPROPANOIC ACID

2-(([(TERT-BUTOXY)CARBONYL]AMINO)OXY)-3-PHENYLPROPANOIC ACID

CAS No.:
42990-50-1
Catalog Number:
AG01EKEF
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
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Product Description
Catalog Number:
AG01EKEF
Chemical Name:
2-(([(TERT-BUTOXY)CARBONYL]AMINO)OXY)-3-PHENYLPROPANOIC ACID
CAS Number:
42990-50-1
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
MDL Number:
MFCD24467973
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenylpropanoic acid
InChI:
InChI=1S/C14H19NO5/c1-14(2,3)19-13(18)15-20-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
KALHAAURVILEMZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccccc1)ONC(=O)OC(C)(C)C
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties