Home Carbonyls 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(m-tolyl)acetic acid

2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(m-tolyl)acetic acid

CAS No.:
885274-08-8
Catalog Number:
AG0047KX
Molecular Formula:
C18H26N2O4
Molecular Weight:
334.4100
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Product Description
Catalog Number:
AG0047KX
Chemical Name:
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(m-tolyl)acetic acid
CAS Number:
885274-08-8
Molecular Formula:
C18H26N2O4
Molecular Weight:
334.4100
MDL Number:
MFCD06659341
IUPAC Name:
2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
InChI:
InChI=1S/C18H26N2O4/c1-13-6-5-7-14(12-13)15(16(21)22)19-8-10-20(11-9-19)17(23)24-18(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,21,22)
InChI Key:
BNJJGALLZCKLBR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.189g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
334.416g/mol
Monoisotopic Mass:
334.189g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties