4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid

C14H21NO4 — CID 114106528

IUPAC4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCC1OCCC1CNCc1cc(C(=O)O)oc1C
InChIInChI=1S/C14H21NO4/c1-3-12-10(4-5-18-12)7-15-8-11-6-13(14(16)17)19-9(11)2/h6,10,12,15H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyYQITYDREBJLMMU-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.19
Rot. Bonds6

About 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid

4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 114106528) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID114106528
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCC1OCCC1CNCc1cc(C(=O)O)oc1C
InChIInChI=1S/C14H21NO4/c1-3-12-10(4-5-18-12)7-15-8-11-6-13(14(16)17)19-9(11)2/h6,10,12,15H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyYQITYDREBJLMMU-UHFFFAOYSA-N
XLogP2.19
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106137095
5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103254265
5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103258417
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002
4-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240565
5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103238599
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 114106521
N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
CID 114105327
4-[(2-ethoxyethylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103230112
2-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105332
5-methyl-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103245559
5-methyl-4-[(2-methyloxolan-3-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 107746094

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid (CID 114106528) is 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid is CCC1OCCC1CNCc1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is YQITYDREBJLMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-12-10(4-5-18-12)7-15-8-11-6-13(14(16)17)19-9(11)2/h6,10,12,15H,3-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 114106528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).