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1449117-74-1 | 1H-Pyrrole-1,3-dicarboxylic acid, 4-[(aminocarbonyl)amino]-2,5-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1449117-74-1 Catalog No: AG001KCK MDL No:MFCD23704675
Product Description
Catalog Number:
AG001KCK
Chemical Name:
1H-Pyrrole-1,3-dicarboxylic acid, 4-[(aminocarbonyl)amino]-2,5-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1449117-74-1
Molecular Formula:
C13H21N3O5
Molecular Weight:
299.3229
MDL Number:
MFCD23704675
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 4-(carbamoylamino)-2,5-dihydropyrrole-1,3-dicarboxylate
InChI:
InChI=1S/C13H21N3O5/c1-5-20-10(17)8-6-16(7-9(8)15-11(14)18)12(19)21-13(2,3)4/h5-7H2,1-4H3,(H3,14,15,18)
InChI Key:
MJAHHFLAKJFTHQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(NC(=O)N)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.327g/mol
Monoisotopic Mass:
299.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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