5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid

C16H19NO4 — CID 103258057

IUPAC5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H19NO4/c1-10(12-5-4-6-13(9-12)20-3)17-11(2)14-7-8-15(21-14)16(18)19/h4-11,17H,1-3H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyLOJBQVPXQJNLSV-NFJWQWPMSA-N
MW289.33 g/mol
LogP3.40
Rot. Bonds6

About 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid

5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid (PubChem CID 103258057) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
PubChem CID103258057
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H19NO4/c1-10(12-5-4-6-13(9-12)20-3)17-11(2)14-7-8-15(21-14)16(18)19/h4-11,17H,1-3H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyLOJBQVPXQJNLSV-NFJWQWPMSA-N
XLogP3.40
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103258552
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
CID 20988808
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103257201
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid (CID 103258057) is 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid is COc1cccc([C@@H](C)NC(C)c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The InChIKey is LOJBQVPXQJNLSV-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(12-5-4-6-13(9-12)20-3)17-11(2)14-7-8-15(21-14)16(18)19/h4-11,17H,1-3H3,(H,18,19)/t10-,11?/m1/s1.
What are the key properties of 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103258057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).