2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid

C14H16N2O3S — CID 82894588

IUPAC2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid
SMILESCOc1cc(CNCc2ccc(CC(=O)O)s2)ccn1
InChIInChI=1S/C14H16N2O3S/c1-19-13-6-10(4-5-16-13)8-15-9-12-3-2-11(20-12)7-14(17)18/h2-6,15H,7-9H2,1H3,(H,17,18)
InChIKeyFJOHJBWMJDDZGN-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.07
Rot. Bonds7

About 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82894588) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid
PubChem CID82894588
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid
SMILESCOc1cc(CNCc2ccc(CC(=O)O)s2)ccn1
InChIInChI=1S/C14H16N2O3S/c1-19-13-6-10(4-5-16-13)8-15-9-12-3-2-11(20-12)7-14(17)18/h2-6,15H,7-9H2,1H3,(H,17,18)
InChIKeyFJOHJBWMJDDZGN-UHFFFAOYSA-N
XLogP2.07
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid (CID 82894588) is 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid is COc1cc(CNCc2ccc(CC(=O)O)s2)ccn1.
What is the InChIKey of 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is FJOHJBWMJDDZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-13-6-10(4-5-16-13)8-15-9-12-3-2-11(20-12)7-14(17)18/h2-6,15H,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82894588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).