5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid

C13H21NO5 — CID 55004839

IUPAC5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
SMILESCOCCN(Cc1ccc(C(=O)O)o1)C(C)COC
InChIInChI=1S/C13H21NO5/c1-10(9-18-3)14(6-7-17-2)8-11-4-5-12(19-11)13(15)16/h4-5,10H,6-9H2,1-3H3,(H,15,16)
InChIKeyYUOMIXTZDFEPCK-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.46
Rot. Bonds9

About 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid

5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid (PubChem CID 55004839) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
PubChem CID55004839
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
SMILESCOCCN(Cc1ccc(C(=O)O)o1)C(C)COC
InChIInChI=1S/C13H21NO5/c1-10(9-18-3)14(6-7-17-2)8-11-4-5-12(19-11)13(15)16/h4-5,10H,6-9H2,1-3H3,(H,15,16)
InChIKeyYUOMIXTZDFEPCK-UHFFFAOYSA-N
XLogP1.46
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 63583745
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55072533
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
5-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 54998544
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
N-ethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-1-methoxypropan-2-amine
CID 62427043
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63292652
3-fluoro-4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63075070
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid (CID 55004839) is 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid is COCCN(Cc1ccc(C(=O)O)o1)C(C)COC.
What is the InChIKey of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is YUOMIXTZDFEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-10(9-18-3)14(6-7-17-2)8-11-4-5-12(19-11)13(15)16/h4-5,10H,6-9H2,1-3H3,(H,15,16).
What are the key properties of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid?
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 55004839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).