5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C13H19NO3 — CID 63954992

IUPAC5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)c(C)o1)CC1CC1
InChIInChI=1S/C13H19NO3/c1-3-14(7-10-4-5-10)8-11-6-12(13(15)16)9(2)17-11/h6,10H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyRZIBNHKQPUUWPO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.52
Rot. Bonds6

About 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 63954992) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID63954992
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)c(C)o1)CC1CC1
InChIInChI=1S/C13H19NO3/c1-3-14(7-10-4-5-10)8-11-6-12(13(15)16)9(2)17-11/h6,10H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyRZIBNHKQPUUWPO-UHFFFAOYSA-N
XLogP2.52
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclopropylmethyl(propyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61441661
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 107402375
5-[[2-cyanopropyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54988280
5-[[3-cyclohexylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222584
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 63713788
2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 43477431
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 107402081
5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 112734477
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 114950163
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoic acid
CID 107119511
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63939305

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 63954992) is 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid is CCN(Cc1cc(C(=O)O)c(C)o1)CC1CC1.
What is the InChIKey of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is RZIBNHKQPUUWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14(7-10-4-5-10)8-11-6-12(13(15)16)9(2)17-11/h6,10H,3-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 63954992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).