5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid

C14H15NO4 — CID 114009306

IUPAC5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid
SMILESCOc1cccc(CCNc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H15NO4/c1-18-11-4-2-3-10(9-11)7-8-15-13-6-5-12(19-13)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyPUBSLEMDCOJVSB-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.64
Rot. Bonds6

About 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid

5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid (PubChem CID 114009306) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid
PubChem CID114009306
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid
SMILESCOc1cccc(CCNc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H15NO4/c1-18-11-4-2-3-10(9-11)7-8-15-13-6-5-12(19-13)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyPUBSLEMDCOJVSB-UHFFFAOYSA-N
XLogP2.64
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
5-[1-cyano-2-(3-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 82141134
2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 107856368
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid (CID 114009306) is 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid is COc1cccc(CCNc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid?
The InChIKey is PUBSLEMDCOJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-11-4-2-3-10(9-11)7-8-15-13-6-5-12(19-13)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid?
5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid is sourced from PubChem (CID 114009306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).