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1417793-25-9 | 1H-Imidazole-5-carboxylic acid, 4-[[[1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]-
CAS No: 1417793-25-9 Catalog No: AG001H35 MDL No:
Product Description
Catalog Number:
AG001H35
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-[[[1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]-
CAS Number:
1417793-25-9
Molecular Formula:
C14H20N4O5
Molecular Weight:
324.3324
IUPAC Name:
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamoyl]-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C14H20N4O5/c1-14(2,3)23-13(22)18-5-4-8(6-18)17-11(19)9-10(12(20)21)16-7-15-9/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,19)(H,20,21)
InChI Key:
MEGCTGVEUZXAJB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)NC(=O)c1nc[nH]c1C(=O)O)OC(C)(C)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.337g/mol
Monoisotopic Mass:
324.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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