Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-(3,5-dimethylphenyl)acetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(3,5-dimethylphenyl)acetic acid

CAS No.:
1404825-75-7
Catalog Number:
AG01EKE3
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
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Product Description
Catalog Number:
AG01EKE3
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-(3,5-dimethylphenyl)acetic acid
CAS Number:
1404825-75-7
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD07388875
IUPAC Name:
2-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C15H21NO4/c1-9-6-10(2)8-11(7-9)12(13(17)18)16-14(19)20-15(3,4)5/h6-8,12H,1-5H3,(H,16,19)(H,17,18)
InChI Key:
KQWNBNRGLVHFKJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1cc(C)cc(c1)C)C(=O)O
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties