3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid

C14H21NO3 — CID 65064379

IUPAC3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(C)c2ccc(C)o2)C1
InChIInChI=1S/C14H21NO3/c1-4-14(13(16)17)7-8-15(9-14)11(3)12-6-5-10(2)18-12/h5-6,11H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyCLHHUVXLVQFPTD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds4

About 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 65064379) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID65064379
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(C)c2ccc(C)o2)C1
InChIInChI=1S/C14H21NO3/c1-4-14(13(16)17)7-8-15(9-14)11(3)12-6-5-10(2)18-12/h5-6,11H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyCLHHUVXLVQFPTD-UHFFFAOYSA-N
XLogP2.84
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-Butyl-2-methyl-furan-3-carbonyl)-pyrrolidine-2-carboxylic acid
CID 596574
(2S)-1,1-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-1-ium iodide
CID 24894626
1,1-Dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-1-ium iodide
CID 24894629
(2R)-1,1-dimethyl-2-(5-methylfuran-2-yl)pyrrolidin-1-ium iodide
CID 24894636
(2S)-1-methyl-2-(5-methylfuran-2-yl)pyrrolidine
CID 24894516
1-Methyl-2-(5-methylfuran-2-yl)pyrrolidine
CID 24894632
(2R)-1-methyl-2-(5-methylfuran-2-yl)pyrrolidine
CID 24894633
2-(5-Methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 16793089
8-(Cyclopropylcarbonyl)-2-[(5-methyl-2-furyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56902533
(3R,4R)-4-methyl-1-[(5-methyl-2-furyl)methyl]-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053291
1-(Ethoxycarbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2-carboxylic acid
CID 54594490
3-(2-Methoxyethyl)-1-[(5-propyl-2-furyl)methyl]-3-piperidinecarboxylic acid
CID 72934146

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 65064379) is 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(C)c2ccc(C)o2)C1.
What is the InChIKey of 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CLHHUVXLVQFPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-14(13(16)17)7-8-15(9-14)11(3)12-6-5-10(2)18-12/h5-6,11H,4,7-9H2,1-3H3,(H,16,17).
What are the key properties of 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65064379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).