Home Carboxys 4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid

4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid

CAS No.:
77716-11-1
Catalog Number:
AG0033SG
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$52
- +
5g
95%
In Stock USA
United States
$158
- +
Product Description
Catalog Number:
AG0033SG
Chemical Name:
4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
CAS Number:
77716-11-1
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
MDL Number:
MFCD02094544
IUPAC Name:
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15)
InChI Key:
GOLAEMFBWAIGRX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cn(c(c1)C(=O)O)C
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties