5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid

C15H17NO4 — CID 103247181

IUPAC5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
SMILESCOCc1ccccc1NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H17NO4/c1-10(13-7-8-14(20-13)15(17)18)16-12-6-4-3-5-11(12)9-19-2/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyOODDNPXZCZUGNF-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.30
Rot. Bonds6

About 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid

5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid (PubChem CID 103247181) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
PubChem CID103247181
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
SMILESCOCc1ccccc1NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H17NO4/c1-10(13-7-8-14(20-13)15(17)18)16-12-6-4-3-5-11(12)9-19-2/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyOODDNPXZCZUGNF-UHFFFAOYSA-N
XLogP3.30
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
CID 106946154
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
CID 11701995
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127
5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid
CID 103233651
5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
CID 103261589
2-[2-(methoxymethyl)anilino]pentanoic acid
CID 83041000
methyl 5-[1-(3-bromo-2-methylanilino)ethyl]furan-2-carboxylate
CID 107636489
5-[1-(thiophen-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103255803
5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103230075

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid (CID 103247181) is 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid is COCc1ccccc1NC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid?
The InChIKey is OODDNPXZCZUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(13-7-8-14(20-13)15(17)18)16-12-6-4-3-5-11(12)9-19-2/h3-8,10,16H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid?
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103247181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).