2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid

C15H17NO4 — CID 103258081

IUPAC2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
SMILESCOc1cccc([C@H](C)NCc2occc2C(=O)O)c1
InChIInChI=1S/C15H17NO4/c1-10(11-4-3-5-12(8-11)19-2)16-9-14-13(15(17)18)6-7-20-14/h3-8,10,16H,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyLLTDQLSGNVXEEN-JTQLQIEISA-N
MW275.30 g/mol
LogP2.84
Rot. Bonds6

About 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid

2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 103258081) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
PubChem CID103258081
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
SMILESCOc1cccc([C@H](C)NCc2occc2C(=O)O)c1
InChIInChI=1S/C15H17NO4/c1-10(11-4-3-5-12(8-11)19-2)16-9-14-13(15(17)18)6-7-20-14/h3-8,10,16H,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyLLTDQLSGNVXEEN-JTQLQIEISA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103259172
2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103259212
3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 103258080
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 60944540
2-[[2-(3-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 107853870
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257184
5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 104891434
2-[(1-thiophen-3-ylethylamino)methyl]furan-3-carboxylic acid
CID 103249719
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 104609167
2-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103237953

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid (CID 103258081) is 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid is COc1cccc([C@H](C)NCc2occc2C(=O)O)c1.
What is the InChIKey of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is LLTDQLSGNVXEEN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(11-4-3-5-12(8-11)19-2)16-9-14-13(15(17)18)6-7-20-14/h3-8,10,16H,9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid?
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103258081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).