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

C15H17NO4 — CID 103258080

IUPAC3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCOc1cccc([C@H](C)NCc2ccoc2C(=O)O)c1
InChIInChI=1S/C15H17NO4/c1-10(11-4-3-5-13(8-11)19-2)16-9-12-6-7-20-14(12)15(17)18/h3-8,10,16H,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyYWPXWQSXAUKPIP-JTQLQIEISA-N
MW275.30 g/mol
LogP2.84
Rot. Bonds6

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

3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 103258080) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid
PubChem CID103258080
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCOc1cccc([C@H](C)NCc2ccoc2C(=O)O)c1
InChIInChI=1S/C15H17NO4/c1-10(11-4-3-5-13(8-11)19-2)16-9-12-6-7-20-14(12)15(17)18/h3-8,10,16H,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyYWPXWQSXAUKPIP-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 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 60944540
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103258081
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
methyl 3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367682
3-[[1-(4-bromophenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 103245714
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354737
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 104609167
3-[(3-methylbutan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103230406
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
3-[(1-phenylpropylamino)methyl]furan-2-carboxylic acid
CID 103248056
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid (CID 103258080) is 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid is COc1cccc([C@H](C)NCc2ccoc2C(=O)O)c1.
What is the InChIKey of 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is YWPXWQSXAUKPIP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(11-4-3-5-13(8-11)19-2)16-9-12-6-7-20-14(12)15(17)18/h3-8,10,16H,9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid?
3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-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 3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103258080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).