Home Carbonyls 2-{[(benzyloxy)carbonyl]amino}-4-methoxybutanoic acid

2-{[(benzyloxy)carbonyl]amino}-4-methoxybutanoic acid

CAS No.:
57906-55-5
Catalog Number:
AG01A5CB
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
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Product Description
Catalog Number:
AG01A5CB
Chemical Name:
2-{[(benzyloxy)carbonyl]amino}-4-methoxybutanoic acid
CAS Number:
57906-55-5
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
MDL Number:
MFCD17083835
IUPAC Name:
4-methoxy-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C13H17NO5/c1-18-8-7-11(12(15)16)14-13(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)
InChI Key:
DBKHJKCXWQXWNY-UHFFFAOYSA-N
SMILES:
COCCC(C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties