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

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

CAS No.:
855316-46-0
Catalog Number:
AG01EKRC
Molecular Formula:
C21H22N2O5
Molecular Weight:
382.4098
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Product Description
Catalog Number:
AG01EKRC
Chemical Name:
3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanoic acid
CAS Number:
855316-46-0
Molecular Formula:
C21H22N2O5
Molecular Weight:
382.4098
MDL Number:
MFCD31615639
IUPAC Name:
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
InChI:
InChI=1S/C21H22N2O5/c24-19(22-12-10-20(25)26)9-11-23-21(27)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,24)(H,23,27)(H,25,26)
InChI Key:
SIGCYSMTUQWCQG-UHFFFAOYSA-N
SMILES:
O=C(NCCC(=O)O)CCNC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
545  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.153g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
382.416g/mol
Monoisotopic Mass:
382.153g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties