2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid

C11H19NO4 — CID 87479915

IUPAC2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid
SMILESCC(C)(C)ON(CCC1C=CCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-12(10(13)14)7-6-9-5-4-8-15-9/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyQAJLEABMUGPDIG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid

2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid (PubChem CID 87479915) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid.

Molecular Properties

Compound Name2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid
PubChem CID87479915
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid
SMILESCC(C)(C)ON(CCC1C=CCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-12(10(13)14)7-6-9-5-4-8-15-9/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyQAJLEABMUGPDIG-UHFFFAOYSA-N
XLogP2.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid?
The IUPAC name of 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid (CID 87479915) is 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid.
What is the SMILES notation for 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid?
The canonical SMILES for 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid is CC(C)(C)ON(CCC1C=CCO1)C(=O)O.
What is the InChIKey of 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid?
The InChIKey is QAJLEABMUGPDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-12(10(13)14)7-6-9-5-4-8-15-9/h4-5,9H,6-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid?
2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid has a molecular weight of 229.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid is sourced from PubChem (CID 87479915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).