1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C14H20N2O4 — CID 79383673

IUPAC1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C14H20N2O4/c1-3-15(9-11-5-4-8-20-11)14(19)16-7-6-12(10(16)2)13(17)18/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyASGAFXLLTHLQAI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.02
Rot. Bonds4

About 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79383673) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79383673
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCN(Cc1ccco1)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C14H20N2O4/c1-3-15(9-11-5-4-8-20-11)14(19)16-7-6-12(10(16)2)13(17)18/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyASGAFXLLTHLQAI-UHFFFAOYSA-N
XLogP2.02
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61420877
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
1-[(4-ethylphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377613
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894894
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79383673) is 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CCN(Cc1ccco1)C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ASGAFXLLTHLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-15(9-11-5-4-8-20-11)14(19)16-7-6-12(10(16)2)13(17)18/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).