4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide

C9H11NO5 — CID 171898602

IUPAC4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(C=O)o1
InChIInChI=1S/C9H11NO5/c10-8(13)3-6(12)9(14)7-2-1-5(4-11)15-7/h1-2,4,6,9,12,14H,3H2,(H2,10,13)
InChIKeyQAVKTTKCRYVJPJ-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.64
Rot. Bonds5

About 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide

4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide (PubChem CID 171898602) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide
PubChem CID171898602
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(C=O)o1
InChIInChI=1S/C9H11NO5/c10-8(13)3-6(12)9(14)7-2-1-5(4-11)15-7/h1-2,4,6,9,12,14H,3H2,(H2,10,13)
InChIKeyQAVKTTKCRYVJPJ-UHFFFAOYSA-N
XLogP-0.64
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-formylfuran-2-yl)-3,4-dihydroxybutyl]acetamide
CID 171882477
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanamide
CID 171899102
4-(3-formylphenyl)-3,4-dihydroxybutanamide
CID 171898794
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171899432
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
4-[4-formyl-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900047
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide (CID 171898602) is 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(C=O)o1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide?
The InChIKey is QAVKTTKCRYVJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c10-8(13)3-6(12)9(14)7-2-1-5(4-11)15-7/h1-2,4,6,9,12,14H,3H2,(H2,10,13).
What are the key properties of 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide?
4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide has a molecular weight of 213.19 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).