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121695-04-3 | 2H-Tetrazole-2-acetamide, 5-[3-methyl-1-[(2-pyrrolidinylcarbonyl)amino]butyl]-
CAS No: 121695-04-3 Catalog No: AG0015LE MDL No:
Product Description
Catalog Number:
AG0015LE
Chemical Name:
2H-Tetrazole-2-acetamide, 5-[3-methyl-1-[(2-pyrrolidinylcarbonyl)amino]butyl]-
CAS Number:
121695-04-3
Molecular Formula:
C13H23N7O2
Molecular Weight:
309.3674
IUPAC Name:
N-[1-[5-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C13H23N7O2/c1-8(2)6-10(16-12(22)9-4-3-5-15-9)13(7-11(14)21)17-19-20-18-13/h8-10,15H,3-7H2,1-2H3,(H2,14,21)(H,16,22)
InChI Key:
LKMZFDHQJPAGLQ-UHFFFAOYSA-N
SMILES:
CC(CC(c1nnn(n1)CC(=O)N)NC(=O)C1CCCN1)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.191g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.374g/mol
Monoisotopic Mass:
309.191g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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