Home Boronic acids 4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxy-3-oxopropyl]phenylboronic acid

4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxy-3-oxopropyl]phenylboronic acid

CAS No.:
224824-22-0
Catalog Number:
AG00CGE7
Molecular Formula:
C15H22BNO6
Molecular Weight:
323.1493
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Product Description
Catalog Number:
AG00CGE7
Chemical Name:
4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxy-3-oxopropyl]phenylboronic acid
CAS Number:
224824-22-0
Molecular Formula:
C15H22BNO6
Molecular Weight:
323.1493
MDL Number:
MFCD10698492
IUPAC Name:
[4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]boronic acid
InChI:
InChI=1S/C15H22BNO6/c1-15(2,3)23-14(19)17-12(13(18)22-4)9-10-5-7-11(8-6-10)16(20)21/h5-8,12,20-21H,9H2,1-4H3,(H,17,19)/t12-/m0/s1
InChI Key:
LCSWULUDYAPFHU-LBPRGKRZSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)B(O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
323.154g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
323.152g/mol
Monoisotopic Mass:
323.154g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties