4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid

C15H24N2O3 — CID 63164030

IUPAC4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCN(CC)C1CCN(Cc2cc(C(=O)O)oc2C)C1
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)13-6-7-16(10-13)9-12-8-14(15(18)19)20-11(12)3/h8,13H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyKYFVIUBJJZWIQS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.20
Rot. Bonds6

About 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid

4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 63164030) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID63164030
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCN(CC)C1CCN(Cc2cc(C(=O)O)oc2C)C1
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)13-6-7-16(10-13)9-12-8-14(15(18)19)20-11(12)3/h8,13H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyKYFVIUBJJZWIQS-UHFFFAOYSA-N
XLogP2.20
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 82691035
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-fluorobenzoic acid
CID 107907906
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62889997
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 78987355
1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 63171749
[4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-3-fluorophenyl]boronic acid
CID 63164778
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
CID 63579534

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid (CID 63164030) is 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid is CCN(CC)C1CCN(Cc2cc(C(=O)O)oc2C)C1.
What is the InChIKey of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is KYFVIUBJJZWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17(5-2)13-6-7-16(10-13)9-12-8-14(15(18)19)20-11(12)3/h8,13H,4-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 63164030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).