5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid

C14H22N2O3 — CID 114133409

IUPAC5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CNCC(C)N(C)C2CC2)oc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-9-6-12(19-13(9)14(17)18)8-15-7-10(2)16(3)11-4-5-11/h6,10-11,15H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyQMKDLFQPDCZKOI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds7

About 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid

5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 114133409) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID114133409
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CNCC(C)N(C)C2CC2)oc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-9-6-12(19-13(9)14(17)18)8-15-7-10(2)16(3)11-4-5-11/h6,10-11,15H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyQMKDLFQPDCZKOI-UHFFFAOYSA-N
XLogP1.86
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid with MolForge

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Related Compounds

5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid
CID 103243474
5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103259950
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
5-[[2-(diethylamino)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103234085
5-[[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103268721
3-methyl-5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 103262594
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
3-methyl-5-[[[3-(2-methylpropylamino)-3-oxopropyl]amino]methyl]furan-2-carboxylic acid
CID 103263372
5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103239577
5-[(2,2-dimethylbutylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103462758
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 106836377

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid (CID 114133409) is 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CNCC(C)N(C)C2CC2)oc1C(=O)O.
What is the InChIKey of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is QMKDLFQPDCZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-6-12(19-13(9)14(17)18)8-15-7-10(2)16(3)11-4-5-11/h6,10-11,15H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 114133409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).