2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid

C16H18N2O3 — CID 115461656

IUPAC2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
SMILESCOc1ncccc1CNCc1ccccc1CC(=O)O
InChIInChI=1S/C16H18N2O3/c1-21-16-14(7-4-8-18-16)11-17-10-13-6-3-2-5-12(13)9-15(19)20/h2-8,17H,9-11H2,1H3,(H,19,20)
InChIKeyWCWRTCPZYMKXNW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.01
Rot. Bonds7

About 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid

2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid (PubChem CID 115461656) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
PubChem CID115461656
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
SMILESCOc1ncccc1CNCc1ccccc1CC(=O)O
InChIInChI=1S/C16H18N2O3/c1-21-16-14(7-4-8-18-16)11-17-10-13-6-3-2-5-12(13)9-15(19)20/h2-8,17H,9-11H2,1H3,(H,19,20)
InChIKeyWCWRTCPZYMKXNW-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 103230071
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608623
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid (CID 115461656) is 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid is COc1ncccc1CNCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid?
The InChIKey is WCWRTCPZYMKXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-16-14(7-4-8-18-16)11-17-10-13-6-3-2-5-12(13)9-15(19)20/h2-8,17H,9-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid?
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 115461656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).