3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid

C14H27NO6 — CID 106991448

IUPAC3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
SMILESCOCCOCC(O)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C14H27NO6/c1-19-8-9-20-11-12(16)10-15-5-2-13(3-6-15)21-7-4-14(17)18/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyFEWRIIKINJDYKR-UHFFFAOYSA-N
MW305.37 g/mol
LogP-0.03
Rot. Bonds11

About 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid

3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 106991448) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
PubChem CID106991448
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
SMILESCOCCOCC(O)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C14H27NO6/c1-19-8-9-20-11-12(16)10-15-5-2-13(3-6-15)21-7-4-14(17)18/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyFEWRIIKINJDYKR-UHFFFAOYSA-N
XLogP-0.03
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 63932800
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992226
methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
CID 106992894
3-[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63905147
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-(1-but-2-ynylpiperidin-4-yl)oxypropanoic acid
CID 63903229
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid (CID 106991448) is 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid is COCCOCC(O)CN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is FEWRIIKINJDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6/c1-19-8-9-20-11-12(16)10-15-5-2-13(3-6-15)21-7-4-14(17)18/h12-13,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 305.37 g/mol, XLogP of -0.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 106991448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).