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

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

CAS No.:
1700071-99-3
Catalog Number:
AG01EKDQ
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
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Product Description
Catalog Number:
AG01EKDQ
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-2-(3-methylphenyl)propanoic acid
CAS Number:
1700071-99-3
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD31435789
IUPAC Name:
2-(3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)12(13(17)18)9-16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
InChI Key:
KSIXJRIIDDYQTG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(c1cccc(c1)C)C(=O)O
Properties
Complexity:
348  
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:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties