(2S)-N,2-dihydroxy-2-phenylacetamide

C8H9NO3 — CID 5324630

IUPAC(2S)-N,2-dihydroxy-2-phenylacetamide
SMILESO=C(NO)[C@@H](O)c1ccccc1
InChIInChI=1S/C8H9NO3/c10-7(8(11)9-12)6-4-2-1-3-5-6/h1-5,7,10,12H,(H,9,11)/t7-/m0/s1
InChIKeyMLFRTFJESPROFS-ZETCQYMHSA-N
MW167.16 g/mol
LogP0.23
Rot. Bonds2

About (2S)-N,2-dihydroxy-2-phenylacetamide

(2S)-N,2-dihydroxy-2-phenylacetamide (PubChem CID 5324630) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2S)-N,2-dihydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,2-dihydroxy-2-phenylacetamide
PubChem CID5324630
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(2S)-N,2-dihydroxy-2-phenylacetamide
SMILESO=C(NO)[C@@H](O)c1ccccc1
InChIInChI=1S/C8H9NO3/c10-7(8(11)9-12)6-4-2-1-3-5-6/h1-5,7,10,12H,(H,9,11)/t7-/m0/s1
InChIKeyMLFRTFJESPROFS-ZETCQYMHSA-N
XLogP0.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dihydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N,2-dihydroxy-2-phenylacetamide (CID 5324630) is (2S)-N,2-dihydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N,2-dihydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N,2-dihydroxy-2-phenylacetamide is O=C(NO)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N,2-dihydroxy-2-phenylacetamide?
The InChIKey is MLFRTFJESPROFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9NO3/c10-7(8(11)9-12)6-4-2-1-3-5-6/h1-5,7,10,12H,(H,9,11)/t7-/m0/s1.
What are the key properties of (2S)-N,2-dihydroxy-2-phenylacetamide?
(2S)-N,2-dihydroxy-2-phenylacetamide has a molecular weight of 167.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dihydroxy-2-phenylacetamide is sourced from PubChem (CID 5324630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).