4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C15H21NO4 — CID 114511419

IUPAC4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)c2ccco2)C1
InChIInChI=1S/C15H21NO4/c1-3-10-7-11(12(8-10)15(18)19)14(17)16-9(2)13-5-4-6-20-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyROSCSGPZZFFVTQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.59
Rot. Bonds5

About 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511419) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511419
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)c2ccco2)C1
InChIInChI=1S/C15H21NO4/c1-3-10-7-11(12(8-10)15(18)19)14(17)16-9(2)13-5-4-6-20-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyROSCSGPZZFFVTQ-UHFFFAOYSA-N
XLogP2.59
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511535
(1S,6R)-6-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93037484
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
CID 86849465
4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114512136
4-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399688
4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399674
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106348503
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511694

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114511419) is 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC(C)c2ccco2)C1.
What is the InChIKey of 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ROSCSGPZZFFVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-10-7-11(12(8-10)15(18)19)14(17)16-9(2)13-5-4-6-20-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).