Home Carboxys 3-{[(tert-butoxy)carbonyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxylic acid

3-{[(tert-butoxy)carbonyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxylic acid

CAS No.:
170492-62-3
Catalog Number:
AG01EKUT
Molecular Formula:
C16H20N2O5
Molecular Weight:
320.3404
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Product Description
Catalog Number:
AG01EKUT
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxylic acid
CAS Number:
170492-62-3
Molecular Formula:
C16H20N2O5
Molecular Weight:
320.3404
MDL Number:
MFCD31421655
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxylic acid
InChI:
InChI=1S/C16H20N2O5/c1-16(2,3)23-15(22)18-12-7-4-9-8-10(14(20)21)5-6-11(9)17-13(12)19/h5-6,8,12H,4,7H2,1-3H3,(H,17,19)(H,18,22)(H,20,21)
InChI Key:
WFLUUWRASKUXOU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCc2c(NC1=O)ccc(c2)C(=O)O
Properties
Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.137g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
320.345g/mol
Monoisotopic Mass:
320.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties