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

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

CAS No.:
1379843-04-5
Catalog Number:
AG01B42C
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
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Product Description
Catalog Number:
AG01B42C
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(3-methylpyridin-2-yl)propanoic acid
CAS Number:
1379843-04-5
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
MDL Number:
MFCD07388784
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methylpyridin-2-yl)propanoic acid
InChI:
InChI=1S/C14H20N2O4/c1-9-6-5-7-15-10(9)8-11(12(17)18)16-13(19)20-14(2,3)4/h5-7,11H,8H2,1-4H3,(H,16,19)(H,17,18)
InChI Key:
DSJXTJZRCOLMEG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1ncccc1C
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties