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142248-11-1 | Butanoic acid, 2-[(benzoylamino)methyl]-3-hydroxy-, methyl ester
CAS No: 142248-11-1 Catalog No: AG001I1J MDL No:
Product Description
Catalog Number:
AG001I1J
Chemical Name:
Butanoic acid, 2-[(benzoylamino)methyl]-3-hydroxy-, methyl ester
CAS Number:
142248-11-1
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
methyl 2-(benzamidomethyl)-3-hydroxybutanoate
InChI:
InChI=1S/C13H17NO4/c1-9(15)11(13(17)18-2)8-14-12(16)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,16)
InChI Key:
ATBIFOORFZTUKF-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(O)C)CNC(=O)c1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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