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

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

CAS No.:
2138151-85-4
Catalog Number:
AG01EKP0
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
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Product Description
Catalog Number:
AG01EKP0
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-2-(2-chlorophenyl)propanoic acid
CAS Number:
2138151-85-4
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
MDL Number:
MFCD31435801
IUPAC Name:
2-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-8-10(12(17)18)9-6-4-5-7-11(9)15/h4-7,10H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
ROJRSGGMPTYNBZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(c1ccccc1Cl)C(=O)O
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.092g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.751g/mol
Monoisotopic Mass:
299.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties