2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid

C14H21NO4 — CID 63713788

IUPAC2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)CC2CCCOC2)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-10-13(14(16)17)6-12(19-10)8-15(2)7-11-4-3-5-18-9-11/h6,11H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyMUVOVTDPLCCJSB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.14
Rot. Bonds5

About 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 63713788) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
PubChem CID63713788
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)CC2CCCOC2)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-10-13(14(16)17)6-12(19-10)8-15(2)7-11-4-3-5-18-9-11/h6,11H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyMUVOVTDPLCCJSB-UHFFFAOYSA-N
XLogP2.14
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-cyclohexylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222584
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55225871
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 63954992
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 114950163
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
5-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 79386693
2-amino-4-fluoro-5-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 63706925
5-[[cyclopropylmethyl(propyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61441661
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
1-(2,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713465
2-chloro-4-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 55225499
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid (CID 63713788) is 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)CC2CCCOC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is MUVOVTDPLCCJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-13(14(16)17)6-12(19-10)8-15(2)7-11-4-3-5-18-9-11/h6,11H,3-5,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 63713788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).