Home Carbonyls 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-1,2,4-triazol-1-yl)propanoic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-1,2,4-triazol-1-yl)propanoic acid

CAS No.:
224173-51-7
Catalog Number:
AG01BK3G
Molecular Formula:
C20H18N4O4
Molecular Weight:
378.3813
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Product Description
Catalog Number:
AG01BK3G
Chemical Name:
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-1,2,4-triazol-1-yl)propanoic acid
CAS Number:
224173-51-7
Molecular Formula:
C20H18N4O4
Molecular Weight:
378.3813
MDL Number:
MFCD28389285
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
InChI:
InChI=1S/C20H18N4O4/c25-19(26)18(9-24-12-21-11-22-24)23-20(27)28-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11-12,17-18H,9-10H2,(H,23,27)(H,25,26)
InChI Key:
XGPCEHLWWDGWIG-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cn1cncn1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.133g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
378.388g/mol
Monoisotopic Mass:
378.133g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties