3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid

C10H15NO4 — CID 103261384

IUPAC3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
SMILESCC(C)(C)ONCc1ccoc1C(=O)O
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-11-6-7-4-5-14-8(7)9(12)13/h4-5,11H,6H2,1-3H3,(H,12,13)
InChIKeyPECBNORTSULDAB-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.80
Rot. Bonds4

About 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid

3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid (PubChem CID 103261384) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
PubChem CID103261384
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
SMILESCC(C)(C)ONCc1ccoc1C(=O)O
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-11-6-7-4-5-14-8(7)9(12)13/h4-5,11H,6H2,1-3H3,(H,12,13)
InChIKeyPECBNORTSULDAB-UHFFFAOYSA-N
XLogP1.80
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.80
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

3-[(3,3-dimethylbutan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103265230
3-[(2-methylpentan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103264402
3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid
CID 103262102
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103265333
3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 103240283
3-[(2,6-diethylanilino)methyl]furan-2-carboxylic acid
CID 103248262
3-[[[3-(tert-butylamino)-3-oxopropyl]amino]methyl]furan-2-carboxylic acid
CID 103263112
3-(ethoxymethyl)furan-2-carboxylic acid
CID 43153128
3-[(3-methylbutan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103230406
3-[(3-methylpentan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103244049
3-[(2-chloro-5-methoxyanilino)methyl]furan-2-carboxylic acid
CID 103243582
3-[(1-hydroxypropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103238278

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid (CID 103261384) is 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid is CC(C)(C)ONCc1ccoc1C(=O)O.
What is the InChIKey of 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid?
The InChIKey is PECBNORTSULDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2,3)15-11-6-7-4-5-14-8(7)9(12)13/h4-5,11H,6H2,1-3H3,(H,12,13).
What are the key properties of 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid?
3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103261384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).