1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H21NO4 — CID 60948920

IUPAC1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H21NO4/c1-2-16(11-12-6-5-9-20-12)13(17)10-15(14(18)19)7-3-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyIYUXIOXKSRPDFY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60948920) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60948920
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H21NO4/c1-2-16(11-12-6-5-9-20-12)13(17)10-15(14(18)19)7-3-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyIYUXIOXKSRPDFY-UHFFFAOYSA-N
XLogP2.66
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396554
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
1-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60941221
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
2-(1-aminocyclohexyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 64683581
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588235
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60948920) is 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCN(Cc1ccco1)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is IYUXIOXKSRPDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-16(11-12-6-5-9-20-12)13(17)10-15(14(18)19)7-3-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60948920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).