Home Carboxys 5-({[(tert-butoxy)carbonyl]amino}methyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid

5-({[(tert-butoxy)carbonyl]amino}methyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:
2090733-23-4
Catalog Number:
AG01BR54
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
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Product Description
Catalog Number:
AG01BR54
Chemical Name:
5-({[(tert-butoxy)carbonyl]amino}methyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid
CAS Number:
2090733-23-4
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
MDL Number:
MFCD31421153
IUPAC Name:
1,2-dimethyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrole-3-carboxylic acid
InChI:
InChI=1S/C13H20N2O4/c1-8-10(11(16)17)6-9(15(8)5)7-14-12(18)19-13(2,3)4/h6H,7H2,1-5H3,(H,14,18)(H,16,17)
InChI Key:
YYKWBSZNHRIVDO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cc(c(n1C)C)C(=O)O
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties