5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid

C13H17NO4 — CID 104607667

IUPAC5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid
SMILESCC1CCC(NC(=O)c2cc(C(=O)O)co2)C1C
InChIInChI=1S/C13H17NO4/c1-7-3-4-10(8(7)2)14-12(15)11-5-9(6-18-11)13(16)17/h5-8,10H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBSYKORQJRNFEIV-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.14
Rot. Bonds3

About 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid

5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607667) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607667
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid
SMILESCC1CCC(NC(=O)c2cc(C(=O)O)co2)C1C
InChIInChI=1S/C13H17NO4/c1-7-3-4-10(8(7)2)14-12(15)11-5-9(6-18-11)13(16)17/h5-8,10H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBSYKORQJRNFEIV-UHFFFAOYSA-N
XLogP2.14
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
CID 104607507
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
5-[[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 167847736
2-[(2,3-dimethylcyclopentyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429123
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433
5-acetylfuran-3-carboxylic acid
CID 10654434
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)-5-methylbenzamide
CID 64922871
3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79692507
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid (CID 104607667) is 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid is CC1CCC(NC(=O)c2cc(C(=O)O)co2)C1C.
What is the InChIKey of 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is BSYKORQJRNFEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-7-3-4-10(8(7)2)14-12(15)11-5-9(6-18-11)13(16)17/h5-8,10H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid?
5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).