2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid


Chemical Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid
CAS Number: 195877-90-8
Product Number: AG00BBE0(AGN-PC-04Q6AW)
Synonyms:
MDL No: MFCD02179070
Molecular Formula: C21H30N2O6
Molecular Weight: 406.4727

Identification/Properties


Computed Properties
Molecular Weight:
406.479g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
406.21g/mol
Monoisotopic Mass:
406.21g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
560
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



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