5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid

C11H15NO4 — CID 106946250

IUPAC5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid
SMILESNC1CCCC(O)(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO4/c12-7-2-1-5-11(15,6-7)9-4-3-8(16-9)10(13)14/h3-4,7,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyUVTHLYXOBDAJNR-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.07
Rot. Bonds2

About 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid

5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid (PubChem CID 106946250) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid
PubChem CID106946250
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid
SMILESNC1CCCC(O)(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO4/c12-7-2-1-5-11(15,6-7)9-4-3-8(16-9)10(13)14/h3-4,7,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyUVTHLYXOBDAJNR-UHFFFAOYSA-N
XLogP1.07
TPSA96.69 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 ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
CID 106946107
5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
CID 103840627
3-amino-1-phenylcyclohexan-1-ol
CID 80562038
5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
CID 106946211
5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
CID 106945846
5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
CID 106945824
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
CID 106946294
3-amino-1-(furan-3-yl)cyclohexan-1-ol
CID 80561335
3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
CID 106651372
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
3-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
CID 106651371
3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
CID 102829342

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid (CID 106946250) is 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid is NC1CCCC(O)(c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid?
The InChIKey is UVTHLYXOBDAJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-7-2-1-5-11(15,6-7)9-4-3-8(16-9)10(13)14/h3-4,7,15H,1-2,5-6,12H2,(H,13,14).
What are the key properties of 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid?
5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).