Home Carboxys 1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid

1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1043384-66-2
Catalog Number:
AG01C37K
Molecular Formula:
C11H18N4O4
Molecular Weight:
270.2850
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Product Description
Catalog Number:
AG01C37K
Chemical Name:
1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1043384-66-2
Molecular Formula:
C11H18N4O4
Molecular Weight:
270.2850
MDL Number:
MFCD11098187
IUPAC Name:
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]triazole-4-carboxylic acid
InChI:
InChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-5-4-6-15-7-8(9(16)17)13-14-15/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChI Key:
MMRUFURNFSJYFP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCn1nnc(c1)C(=O)O
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.133g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.289g/mol
Monoisotopic Mass:
270.133g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties