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102936-05-0 | (S)-2-((Phenylcarbamoyl)oxy)propanoic acid
CAS No: 102936-05-0 Catalog No: AG003CDE MDL No:MFCD00063138
Product Description
Catalog Number:
AG003CDE
Chemical Name:
(S)-2-((Phenylcarbamoyl)oxy)propanoic acid
CAS Number:
102936-05-0
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00063138
IUPAC Name:
(2S)-2-(phenylcarbamoyloxy)propanoic acid
InChI:
InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChI Key:
HYIHYWQSOXTJFS-ZETCQYMHSA-N
SMILES:
C[C@@H](C(=O)O)OC(=O)Nc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inhibitors. | Bioorganic & medicinal chemistry letters 20091201 |
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