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

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

CAS No.:
1404878-37-0
Catalog Number:
AG01B7FV
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
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Product Description
Catalog Number:
AG01B7FV
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(pyrimidin-2-yl)propanoic acid
CAS Number:
1404878-37-0
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
MDL Number:
MFCD19556659
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-2-ylpropanoic acid
InChI:
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-8(10(16)17)7-9-13-5-4-6-14-9/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
ARNPEBZYTRJLKC-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ncccn1)NC(=O)OC(C)(C)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties