2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid

C12H17NO3 — CID 43569345

IUPAC2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C1CC1)N(C)Cc1occc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-8(9-3-4-9)13(2)7-11-10(12(14)15)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyMVCBPQDSSHDGHI-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.21
Rot. Bonds5

About 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid

2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 43569345) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
PubChem CID43569345
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C1CC1)N(C)Cc1occc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-8(9-3-4-9)13(2)7-11-10(12(14)15)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyMVCBPQDSSHDGHI-UHFFFAOYSA-N
XLogP2.21
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382
2-[[1-(3,4-difluorophenyl)ethyl-methylamino]methyl]furan-3-carboxylic acid
CID 146134824
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid
CID 112749030
2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid
CID 138056799
N-[[2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62432136
4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974183
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 82951427
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 43526400
2-[[ethyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid
CID 79476778
2-[[5-hydroxypentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 107200663
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]furan-3-carboxylic acid
CID 103250212
methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
CID 115772273

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid (CID 43569345) is 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid is CC(C1CC1)N(C)Cc1occc1C(=O)O.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is MVCBPQDSSHDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(9-3-4-9)13(2)7-11-10(12(14)15)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43569345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).