2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid

C12H19NO4 — CID 82951427

IUPAC2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESCOCCN(Cc1occc1C(=O)O)C(C)C
InChIInChI=1S/C12H19NO4/c1-9(2)13(5-7-16-3)8-11-10(12(14)15)4-6-17-11/h4,6,9H,5,7-8H2,1-3H3,(H,14,15)
InChIKeyKXKHJDLYDMTJNA-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.83
Rot. Bonds7

About 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid

2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 82951427) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID82951427
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESCOCCN(Cc1occc1C(=O)O)C(C)C
InChIInChI=1S/C12H19NO4/c1-9(2)13(5-7-16-3)8-11-10(12(14)15)4-6-17-11/h4,6,9H,5,7-8H2,1-3H3,(H,14,15)
InChIKeyKXKHJDLYDMTJNA-UHFFFAOYSA-N
XLogP1.83
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 43569345
2-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103237953
2-[[ethyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid
CID 79476778
2-(2-methylpropylsulfonylmethyl)furan-3-carboxylic acid
CID 43477675
4-fluoro-3-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzoic acid
CID 82965404
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]furan-3-carbohydrazide
CID 63585303
2-[(3-bromofuran-2-yl)methyl-propan-2-ylamino]acetic acid
CID 106889510
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
2-[[1-(3,4-difluorophenyl)ethyl-methylamino]methyl]furan-3-carboxylic acid
CID 146134824
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid
CID 112748987
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-6-nitrobenzoic acid
CID 104826005

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid (CID 82951427) is 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid is COCCN(Cc1occc1C(=O)O)C(C)C.
What is the InChIKey of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is KXKHJDLYDMTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-9(2)13(5-7-16-3)8-11-10(12(14)15)4-6-17-11/h4,6,9H,5,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 82951427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).