2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid

C11H13NO4 — CID 54233650

IUPAC2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid
SMILESO=C(O)C(=NOC1CCCC1)c1ccco1
InChIInChI=1S/C11H13NO4/c13-11(14)10(9-6-3-7-15-9)12-16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChIKeyQLAIREPZFIAKLL-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.03
Rot. Bonds4

About 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid

2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid (PubChem CID 54233650) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid
PubChem CID54233650
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid
SMILESO=C(O)C(=NOC1CCCC1)c1ccco1
InChIInChI=1S/C11H13NO4/c13-11(14)10(9-6-3-7-15-9)12-16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChIKeyQLAIREPZFIAKLL-UHFFFAOYSA-N
XLogP2.03
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl furan-2-carboxylate
CID 565207
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid
CID 173430042
N-cyclooctylfuran-2-carboxamide
CID 790432
(2Z)-2-(furan-2-yl)-2-methoxyiminoacetamide
CID 19883955
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
zinc furan-2-carboxylic acid
CID 25022579

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid?
The IUPAC name of 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid (CID 54233650) is 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid.
What is the SMILES notation for 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid?
The canonical SMILES for 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid is O=C(O)C(=NOC1CCCC1)c1ccco1.
What is the InChIKey of 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid?
The InChIKey is QLAIREPZFIAKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-11(14)10(9-6-3-7-15-9)12-16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14).
What are the key properties of 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid?
2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid has a molecular weight of 223.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxyimino-2-(furan-2-yl)acetic acid is sourced from PubChem (CID 54233650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).