2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid

C14H15NO5 — CID 84749415

IUPAC2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(C(NCc2ccco2)C(=O)O)ccc1O
InChIInChI=1S/C14H15NO5/c1-19-12-7-9(4-5-11(12)16)13(14(17)18)15-8-10-3-2-6-20-10/h2-7,13,15-16H,8H2,1H3,(H,17,18)
InChIKeyBGSGCWLDQKAAFY-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.91
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid

2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 84749415) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID84749415
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(C(NCc2ccco2)C(=O)O)ccc1O
InChIInChI=1S/C14H15NO5/c1-19-12-7-9(4-5-11(12)16)13(14(17)18)15-8-10-3-2-6-20-10/h2-7,13,15-16H,8H2,1H3,(H,17,18)
InChIKeyBGSGCWLDQKAAFY-UHFFFAOYSA-N
XLogP1.91
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid
CID 84750176
2-(1,3-benzodioxol-5-yl)-2-(furan-2-ylmethylamino)acetic acid
CID 84748399
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 7766133
methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
CID 83320549
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
CID 82101102
3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid
CID 118450223
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid (CID 84749415) is 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid is COc1cc(C(NCc2ccco2)C(=O)O)ccc1O.
What is the InChIKey of 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is BGSGCWLDQKAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-19-12-7-9(4-5-11(12)16)13(14(17)18)15-8-10-3-2-6-20-10/h2-7,13,15-16H,8H2,1H3,(H,17,18).
What are the key properties of 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 277.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 84749415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).