5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid

C17H22N2O5 — CID 120550990

IUPAC5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NC2CCN(C(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C17H22N2O5/c20-15(14-8-12(10-24-14)17(22)23)18-13-6-7-19(9-13)16(21)11-4-2-1-3-5-11/h8,10-11,13H,1-7,9H2,(H,18,20)(H,22,23)
InChIKeyKBHUGPUBMIJJBM-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.89
Rot. Bonds4

About 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid

5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120550990) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
PubChem CID120550990
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NC2CCN(C(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C17H22N2O5/c20-15(14-8-12(10-24-14)17(22)23)18-13-6-7-19(9-13)16(21)11-4-2-1-3-5-11/h8,10-11,13H,1-7,9H2,(H,18,20)(H,22,23)
InChIKeyKBHUGPUBMIJJBM-UHFFFAOYSA-N
XLogP1.89
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
3-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]-5-nitrobenzoic acid
CID 120550986
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
CID 104623373
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 126795752
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 127642059
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid (CID 120550990) is 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NC2CCN(C(=O)C3CCCCC3)C2)c1.
What is the InChIKey of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is KBHUGPUBMIJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15(14-8-12(10-24-14)17(22)23)18-13-6-7-19(9-13)16(21)11-4-2-1-3-5-11/h8,10-11,13H,1-7,9H2,(H,18,20)(H,22,23).
What are the key properties of 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120550990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).