2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid

C11H15NO4 — CID 107432569

IUPAC2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C1(O)CCCNCC1
InChIInChI=1S/C11H15NO4/c13-10(14)8-2-7-16-9(8)11(15)3-1-5-12-6-4-11/h2,7,12,15H,1,3-6H2,(H,13,14)
InChIKeyIKBKNHQZNYFYRT-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.94
Rot. Bonds2

About 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid

2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid (PubChem CID 107432569) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
PubChem CID107432569
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C1(O)CCCNCC1
InChIInChI=1S/C11H15NO4/c13-10(14)8-2-7-16-9(8)11(15)3-1-5-12-6-4-11/h2,7,12,15H,1,3-6H2,(H,13,14)
InChIKeyIKBKNHQZNYFYRT-UHFFFAOYSA-N
XLogP0.94
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid
CID 107432446
2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
CID 107432327
2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid
CID 107432289
2-(1-hydroxy-3,3,5-trimethylcyclohexyl)furan-3-carboxylic acid
CID 107431944
2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
CID 107432685
2-(4-hydroxypiperidin-4-yl)benzoic acid
CID 105477286
2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
CID 126981374
4-(4-phenylphenyl)azepan-4-ol
CID 103982949
5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
CID 103840627
2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid
CID 68969973
furan-2,3-dicarboxylic acid;piperidine-2,6-dione
CID 175955760

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid?
The IUPAC name of 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid (CID 107432569) is 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid is O=C(O)c1ccoc1C1(O)CCCNCC1.
What is the InChIKey of 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid?
The InChIKey is IKBKNHQZNYFYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-10(14)8-2-7-16-9(8)11(15)3-1-5-12-6-4-11/h2,7,12,15H,1,3-6H2,(H,13,14).
What are the key properties of 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid?
2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid is sourced from PubChem (CID 107432569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).