3-(2-formylphenyl)-2,3,3-trihydroxypropanamide

C10H11NO5 — CID 171869377

IUPAC3-(2-formylphenyl)-2,3,3-trihydroxypropanamide
SMILESNC(=O)C(O)C(O)(O)c1ccccc1C=O
InChIInChI=1S/C10H11NO5/c11-9(14)8(13)10(15,16)7-4-2-1-3-6(7)5-12/h1-5,8,13,15-16H,(H2,11,14)
InChIKeyXFLPOQYJOXJPLB-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.52
Rot. Bonds4

About 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide

3-(2-formylphenyl)-2,3,3-trihydroxypropanamide (PubChem CID 171869377) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide.

Molecular Properties

Compound Name3-(2-formylphenyl)-2,3,3-trihydroxypropanamide
PubChem CID171869377
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-(2-formylphenyl)-2,3,3-trihydroxypropanamide
SMILESNC(=O)C(O)C(O)(O)c1ccccc1C=O
InChIInChI=1S/C10H11NO5/c11-9(14)8(13)10(15,16)7-4-2-1-3-6(7)5-12/h1-5,8,13,15-16H,(H2,11,14)
InChIKeyXFLPOQYJOXJPLB-UHFFFAOYSA-N
XLogP-1.52
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R)-1-amino-1,2-dihydroxypropyl]benzaldehyde
CID 130957357
2-[(1S,2S)-1-amino-1,2-dihydroxypropyl]benzaldehyde;hydrochloride
CID 171261429
2-(2-formylphenyl)-2-hydroxyacetamide
CID 54502369
2-[(1R)-1,2-diamino-1-hydroxyethyl]benzaldehyde
CID 131098097
2-[(1S)-1-amino-2-fluoro-1-hydroxyethyl]benzaldehyde
CID 131172309
2-[(1R,2R)-1-amino-1,2-dihydroxy-5-methylhexyl]benzaldehyde
CID 171267117
2-(2-ethenylphenyl)-2-hydroxy-2-phenylacetamide
CID 139691139
2-[(1S,2S)-1-amino-2-hydroxy-1-methoxy-3-methylbutyl]benzaldehyde
CID 171264420
2-[hydroxy-bis(4-methylphenyl)methyl]benzaldehyde
CID 88982284
2-formylbenzoyl iodide
CID 88830490
2-[(1S,2S)-1-amino-2-cyclopentyl-2-hydroxy-1-methoxyethyl]benzaldehyde;hydrochloride
CID 171264413
CID 158421076
CID 158421076

Frequently Asked Questions

What is the IUPAC name of 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide?
The IUPAC name of 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide (CID 171869377) is 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide.
What is the SMILES notation for 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide?
The canonical SMILES for 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide is NC(=O)C(O)C(O)(O)c1ccccc1C=O.
What is the InChIKey of 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide?
The InChIKey is XFLPOQYJOXJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c11-9(14)8(13)10(15,16)7-4-2-1-3-6(7)5-12/h1-5,8,13,15-16H,(H2,11,14).
What are the key properties of 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide?
3-(2-formylphenyl)-2,3,3-trihydroxypropanamide has a molecular weight of 225.20 g/mol, XLogP of -1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formylphenyl)-2,3,3-trihydroxypropanamide is sourced from PubChem (CID 171869377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).