3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid

C11H15NO4 — CID 103262102

IUPAC3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNOC1CCCC1
InChIInChI=1S/C11H15NO4/c13-11(14)10-8(5-6-15-10)7-12-16-9-3-1-2-4-9/h5-6,9,12H,1-4,7H2,(H,13,14)
InChIKeyUUYFSZYBFHFNQF-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.94
Rot. Bonds5

About 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid

3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid (PubChem CID 103262102) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid
PubChem CID103262102
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNOC1CCCC1
InChIInChI=1S/C11H15NO4/c13-11(14)10-8(5-6-15-10)7-12-16-9-3-1-2-4-9/h5-6,9,12H,1-4,7H2,(H,13,14)
InChIKeyUUYFSZYBFHFNQF-UHFFFAOYSA-N
XLogP1.94
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid (CID 103262102) is 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CNOC1CCCC1.
What is the InChIKey of 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid?
The InChIKey is UUYFSZYBFHFNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-11(14)10-8(5-6-15-10)7-12-16-9-3-1-2-4-9/h5-6,9,12H,1-4,7H2,(H,13,14).
What are the key properties of 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid?
3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentyloxyamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103262102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).