Home Carbonyls (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2-ethoxyphenyl)propanoic acid

(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2-ethoxyphenyl)propanoic acid

CAS No.:
1366333-47-2
Catalog Number:
AG01EKCB
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
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Product Description
Catalog Number:
AG01EKCB
Chemical Name:
(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2-ethoxyphenyl)propanoic acid
CAS Number:
1366333-47-2
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
MDL Number:
MFCD22131321
IUPAC Name:
(3S)-3-(2-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H23NO5/c1-5-21-13-9-7-6-8-11(13)12(10-14(18)19)17-15(20)22-16(2,3)4/h6-9,12H,5,10H2,1-4H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChI Key:
AQWFWQUVUYQKRQ-LBPRGKRZSA-N
SMILES:
CCOc1ccccc1[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties