Home Carboxys 2-({[(tert-butoxy)carbonyl]amino}methyl)pyrimidine-5-carboxylic acid

2-({[(tert-butoxy)carbonyl]amino}methyl)pyrimidine-5-carboxylic acid

CAS No.:
1240594-58-4
Catalog Number:
AG01ALMU
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
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Product Description
Catalog Number:
AG01ALMU
Chemical Name:
2-({[(tert-butoxy)carbonyl]amino}methyl)pyrimidine-5-carboxylic acid
CAS Number:
1240594-58-4
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
MDL Number:
MFCD16988199
IUPAC Name:
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-6-8-12-4-7(5-13-8)9(15)16/h4-5H,6H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
ZMDGGMVEXRHTBS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ncc(cn1)C(=O)O
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties