Home Carbonyls (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid

(S)-3-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid

CAS No.:
499995-73-2
Catalog Number:
AG006WT1
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 99% (HPLC)
1 week
United States
$96
- +
250mg
≥ 99% (HPLC)
1 week
United States
$155
- +
Product Description
Catalog Number:
AG006WT1
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoic acid
CAS Number:
499995-73-2
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
MDL Number:
MFCD03427894
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid
InChI:
InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(8-12(17)18)9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChI Key:
JLVLDNCAYKCLCI-NSHDSACASA-N
SMILES:
OC(=O)C[C@@H](c1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties