5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid

C15H22N2O3 — CID 103240552

IUPAC5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNCC2CCN(C3CC3)C2)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10-14(15(18)19)6-13(20-10)8-16-7-11-4-5-17(9-11)12-2-3-12/h6,11-12,16H,2-5,7-9H2,1H3,(H,18,19)
InChIKeyOGTMBGQAIGECQR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.86
Rot. Bonds6

About 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 103240552) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID103240552
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNCC2CCN(C3CC3)C2)cc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10-14(15(18)19)6-13(20-10)8-16-7-11-4-5-17(9-11)12-2-3-12/h6,11-12,16H,2-5,7-9H2,1H3,(H,18,19)
InChIKeyOGTMBGQAIGECQR-UHFFFAOYSA-N
XLogP1.86
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240565
2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103254255
2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103244476
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 60761364
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
2-methyl-5-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]furan-3-carboxylic acid
CID 103239396
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid
CID 103263206
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103251961
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
5-[[(3-amino-3-oxopropyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103238811

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 103240552) is 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNCC2CCN(C3CC3)C2)cc1C(=O)O.
What is the InChIKey of 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is OGTMBGQAIGECQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-14(15(18)19)6-13(20-10)8-16-7-11-4-5-17(9-11)12-2-3-12/h6,11-12,16H,2-5,7-9H2,1H3,(H,18,19).
What are the key properties of 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 103240552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).