2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid

C12H15NO4 — CID 64812899

IUPAC2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccoc1
InChIInChI=1S/C12H15NO4/c14-11(8-5-6-17-7-8)13-10-4-2-1-3-9(10)12(15)16/h5-7,9-10H,1-4H2,(H,13,14)(H,15,16)
InChIKeyRGQUXSYNUYTOHI-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.65
Rot. Bonds3

About 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid

2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 64812899) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID64812899
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccoc1
InChIInChI=1S/C12H15NO4/c14-11(8-5-6-17-7-8)13-10-4-2-1-3-9(10)12(15)16/h5-7,9-10H,1-4H2,(H,13,14)(H,15,16)
InChIKeyRGQUXSYNUYTOHI-UHFFFAOYSA-N
XLogP1.65
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocycloheptyl)furan-3-carboxamide
CID 63258203
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
N-cyclopropylfuran-3-carboxamide
CID 60698418
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
N-(4-oxocyclohexyl)furan-3-carboxamide
CID 43652764
2-(furan-3-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214058
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 64812899) is 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1ccoc1.
What is the InChIKey of 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RGQUXSYNUYTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(8-5-6-17-7-8)13-10-4-2-1-3-9(10)12(15)16/h5-7,9-10H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64812899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).