5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid

C16H19NO4 — CID 103258552

IUPAC5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCOc1ccc([C@@H](C)NC(C)c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C16H19NO4/c1-10(12-4-6-13(20-3)7-5-12)17-11(2)14-8-9-15(21-14)16(18)19/h4-11,17H,1-3H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyHIHVCKBFUFDWPP-NFJWQWPMSA-N
MW289.33 g/mol
LogP3.40
Rot. Bonds6

About 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid

5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid (PubChem CID 103258552) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
PubChem CID103258552
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCOc1ccc([C@@H](C)NC(C)c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C16H19NO4/c1-10(12-4-6-13(20-3)7-5-12)17-11(2)14-8-9-15(21-14)16(18)19/h4-11,17H,1-3H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyHIHVCKBFUFDWPP-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-(3-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103258057
5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103257201
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
6-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 59356746
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
CID 103261589
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid (CID 103258552) is 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid is COc1ccc([C@@H](C)NC(C)c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
The InChIKey is HIHVCKBFUFDWPP-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(12-4-6-13(20-3)7-5-12)17-11(2)14-8-9-15(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-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid?
5-[1-[[(1R)-1-(4-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-(4-methoxyphenyl)ethyl]amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103258552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).