Home Carbonyls 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyrimidin-4-yl)propanoic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyrimidin-4-yl)propanoic acid

CAS No.:
1691032-13-9
Catalog Number:
AG01BJF4
Molecular Formula:
C22H19N3O4
Molecular Weight:
389.4040
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Product Description
Catalog Number:
AG01BJF4
Chemical Name:
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyrimidin-4-yl)propanoic acid
CAS Number:
1691032-13-9
Molecular Formula:
C22H19N3O4
Molecular Weight:
389.4040
MDL Number:
MFCD31666455
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyrimidin-4-ylpropanoic acid
InChI:
InChI=1S/C22H19N3O4/c26-21(27)20(11-14-9-10-23-13-24-14)25-22(28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,25,28)(H,26,27)
InChI Key:
XIIRNDKJGHFBNS-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cc1ccncn1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.138g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
389.411g/mol
Monoisotopic Mass:
389.138g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties