Home Carbonyls 2-{1-[(tert-butoxy)carbonyl]-3-{4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazin-1-yl}azetidin-3-yl}acetic acid

2-{1-[(tert-butoxy)carbonyl]-3-{4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazin-1-yl}azetidin-3-yl}acetic acid

CAS No.:
1803582-64-0
Catalog Number:
AG01BEV1
Molecular Formula:
C29H35N3O6
Molecular Weight:
521.6047
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Product Description
Catalog Number:
AG01BEV1
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]-3-{4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazin-1-yl}azetidin-3-yl}acetic acid
CAS Number:
1803582-64-0
Molecular Formula:
C29H35N3O6
Molecular Weight:
521.6047
MDL Number:
MFCD28118442
IUPAC Name:
2-[3-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
InChI:
InChI=1S/C29H35N3O6/c1-28(2,3)38-27(36)31-18-29(19-31,16-25(33)34)32-14-12-30(13-15-32)26(35)37-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,24H,12-19H2,1-3H3,(H,33,34)
InChI Key:
QMYAURCWORVLRX-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CN(C1)C(=O)OC(C)(C)C)N1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
867  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.253g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
521.614g/mol
Monoisotopic Mass:
521.253g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties