Home Carboxys 5-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

5-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

CAS No.:
1355170-97-6
Catalog Number:
AG00HU6U
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$294
- +
500mg
95%
In Stock USA
United States
$1128
- +
Product Description
Catalog Number:
AG00HU6U
Chemical Name:
5-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CAS Number:
1355170-97-6
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD18074498
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
InChI:
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-5-4-6-16-9(8-15)7-10(14-16)11(17)18/h7H,4-6,8H2,1-3H3,(H,17,18)
InChI Key:
BAOVIKKQYWXNLP-UHFFFAOYSA-N
SMILES:
O=C(N1CCCn2c(C1)cc(n2)C(=O)O)OC(C)(C)C
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties