2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid

C13H25NO5 — CID 106991388

IUPAC2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
SMILESCOCCOCC(O)CN1CCCCC1CC(=O)O
InChIInChI=1S/C13H25NO5/c1-18-6-7-19-10-12(15)9-14-5-3-2-4-11(14)8-13(16)17/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyBXUITCLQOSPNLS-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.34
Rot. Bonds9

About 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid

2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid (PubChem CID 106991388) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
PubChem CID106991388
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
SMILESCOCCOCC(O)CN1CCCCC1CC(=O)O
InChIInChI=1S/C13H25NO5/c1-18-6-7-19-10-12(15)9-14-5-3-2-4-11(14)8-13(16)17/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyBXUITCLQOSPNLS-UHFFFAOYSA-N
XLogP0.34
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid
CID 61010421
2-[1-(2-propoxyethyl)piperidin-2-yl]acetic acid
CID 106454638
methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
CID 82851116
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
CID 106454643
1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid (CID 106991388) is 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid is COCCOCC(O)CN1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid?
The InChIKey is BXUITCLQOSPNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-18-6-7-19-10-12(15)9-14-5-3-2-4-11(14)8-13(16)17/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid?
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid has a molecular weight of 275.34 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 106991388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).