3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide

C14H14N2O5 — CID 57225835

IUPAC3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide
SMILESCC(C(=O)N(O)c1ccccc1)C(=O)n1c(O)ccc1O
InChIInChI=1S/C14H14N2O5/c1-9(13(19)15-11(17)7-8-12(15)18)14(20)16(21)10-5-3-2-4-6-10/h2-9,17-18,21H,1H3
InChIKeyAPDAODXRWHOXCO-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.60
Rot. Bonds3

About 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide

3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide (PubChem CID 57225835) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide
PubChem CID57225835
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide
SMILESCC(C(=O)N(O)c1ccccc1)C(=O)n1c(O)ccc1O
InChIInChI=1S/C14H14N2O5/c1-9(13(19)15-11(17)7-8-12(15)18)14(20)16(21)10-5-3-2-4-6-10/h2-9,17-18,21H,1H3
InChIKeyAPDAODXRWHOXCO-UHFFFAOYSA-N
XLogP1.60
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide (CID 57225835) is 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide is CC(C(=O)N(O)c1ccccc1)C(=O)n1c(O)ccc1O.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide?
The InChIKey is APDAODXRWHOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9(13(19)15-11(17)7-8-12(15)18)14(20)16(21)10-5-3-2-4-6-10/h2-9,17-18,21H,1H3.
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide?
3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide has a molecular weight of 290.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)-N-hydroxy-2-methyl-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 57225835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).