3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid

C10H15NO4 — CID 82216587

IUPAC3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(O)c1ccco1
InChIInChI=1S/C10H15NO4/c1-11(5-4-10(13)14)7-8(12)9-3-2-6-15-9/h2-3,6,8,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyGBEJSRRQZVYVPI-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.72
Rot. Bonds6

About 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid

3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid (PubChem CID 82216587) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
PubChem CID82216587
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(O)c1ccco1
InChIInChI=1S/C10H15NO4/c1-11(5-4-10(13)14)7-8(12)9-3-2-6-15-9/h2-3,6,8,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyGBEJSRRQZVYVPI-UHFFFAOYSA-N
XLogP0.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216576
3-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoic acid
CID 119152156
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81408035
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
3-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216029
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131
3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]-methylamino]propanoic acid
CID 82215952
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid (CID 82216587) is 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid is CN(CCC(=O)O)CC(O)c1ccco1.
What is the InChIKey of 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid?
The InChIKey is GBEJSRRQZVYVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-11(5-4-10(13)14)7-8(12)9-3-2-6-15-9/h2-3,6,8,12H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid?
3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid is sourced from PubChem (CID 82216587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).