2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid

C13H11NO5 — CID 63914694

IUPAC2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C13H11NO5/c15-11(16)8-19-14-13(17)12-10(6-7-18-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyIAINTVQAWLIRQZ-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.69
Rot. Bonds5

About 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid

2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid (PubChem CID 63914694) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
PubChem CID63914694
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C13H11NO5/c15-11(16)8-19-14-13(17)12-10(6-7-18-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyIAINTVQAWLIRQZ-UHFFFAOYSA-N
XLogP1.69
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
N-cyano-3-phenylfuran-2-carboxamide
CID 79194382
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
3-(3-phenoxyphenyl)furan-2-carbohydrazide
CID 68862343
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
3-phenyl-N-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 71887653
N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
CID 65114924
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
CID 109479214
N-cyclooctyl-3-phenylfuran-2-carboxamide
CID 35163513
N-cyclohexyl-3-phenylfuran-2-carboxamide
CID 46521947

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid (CID 63914694) is 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1occc1-c1ccccc1.
What is the InChIKey of 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid?
The InChIKey is IAINTVQAWLIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-11(16)8-19-14-13(17)12-10(6-7-18-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid?
2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid has a molecular weight of 261.23 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 63914694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).