Home Carbonyls 3-[(tert-Butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid

3-[(tert-Butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid

CAS No.:
284492-37-1
Catalog Number:
AG00IRYN
Molecular Formula:
C16H23NO6
Molecular Weight:
325.3569
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Purity
Availability
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1g
95%
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United States
$168
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Product Description
Catalog Number:
AG00IRYN
Chemical Name:
3-[(tert-Butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CAS Number:
284492-37-1
Molecular Formula:
C16H23NO6
Molecular Weight:
325.3569
MDL Number:
MFCD01931739
IUPAC Name:
3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(9-14(18)19)10-6-7-12(21-4)13(8-10)22-5/h6-8,11H,9H2,1-5H3,(H,17,20)(H,18,19)
InChI Key:
NOEVPXYRCVCOIV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)C(NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.153g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
325.361g/mol
Monoisotopic Mass:
325.153g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties