3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid

C13H19N3O3 — CID 103224487

IUPAC3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H19N3O3/c1-19-10-11(13(17)18)15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyYMAGKROAEHGTCG-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.30
Rot. Bonds5

About 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid

3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 103224487) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
PubChem CID103224487
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H19N3O3/c1-19-10-11(13(17)18)15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5,11H,6-10H2,1H3,(H,17,18)
InChIKeyYMAGKROAEHGTCG-UHFFFAOYSA-N
XLogP0.30
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 72887088
(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 97198091
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 103224480
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
2-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 72853099
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 22683858
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54692667

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid (CID 103224487) is 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid is COCC(C(=O)O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is YMAGKROAEHGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-10-11(13(17)18)15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5,11H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 103224487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).