Oxfenicine

C8H9NO3 — CID 36143

IUPAC(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid
SMILESC1=CC(=CC=C1[C@@H](C(=O)O)N)O
InChIInChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
InChIKeyLJCWONGJFPCTTL-ZETCQYMHSA-N
MW167.16 g/mol
LogP-2.10
Rot. Bonds2

About Oxfenicine

Oxfenicine (PubChem CID 36143) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound NameOxfenicine
PubChem CID36143
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid
SMILESC1=CC(=CC=C1[C@@H](C(=O)O)N)O
InChIInChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
InChIKeyLJCWONGJFPCTTL-ZETCQYMHSA-N
XLogP-2.10
TPSA83.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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alpha-Methyl-p-tyrosine
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6-(18F)fluoro-L-DOPA
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Phospho-L-tyrosine
CID 30819

Frequently Asked Questions

What is the IUPAC name of Oxfenicine?
The IUPAC name of Oxfenicine (CID 36143) is (2S)-2-amino-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for Oxfenicine?
The canonical SMILES for Oxfenicine is C1=CC(=CC=C1[C@@H](C(=O)O)N)O.
What is the InChIKey of Oxfenicine?
The InChIKey is LJCWONGJFPCTTL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1.
What are the key properties of Oxfenicine?
Oxfenicine has a molecular weight of 167.16 g/mol, XLogP of -2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Oxfenicine is sourced from PubChem (CID 36143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).