Home Carbonyls 2-[4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,3-triazol-1-yl]acetic acid

2-[4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,3-triazol-1-yl]acetic acid

CAS No.:
2138103-08-7
Catalog Number:
AG01EKZT
Molecular Formula:
C11H18N4O4
Molecular Weight:
270.2850
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Product Description
Catalog Number:
AG01EKZT
Chemical Name:
2-[4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,3-triazol-1-yl]acetic acid
CAS Number:
2138103-08-7
Molecular Formula:
C11H18N4O4
Molecular Weight:
270.2850
MDL Number:
MFCD31559403
IUPAC Name:
2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-1-yl]acetic acid
InChI:
InChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-5-4-8-6-15(14-13-8)7-9(16)17/h6H,4-5,7H2,1-3H3,(H,12,18)(H,16,17)
InChI Key:
GHWQIOCPMUOLHL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1nnn(c1)CC(=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:
0.4  
Properties