3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine

C14H29NO4 — CID 175288868

IUPAC3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
SMILESCCCN1CCCCC1.COCCOCCC(=O)O
InChIInChI=1S/C8H17N.C6H12O4/c1-2-6-9-7-4-3-5-8-9;1-9-4-5-10-3-2-6(7)8/h2-8H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyUEURJHHTQTXZCJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.01
Rot. Bonds8

About 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine

3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine (PubChem CID 175288868) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
PubChem CID175288868
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
SMILESCCCN1CCCCC1.COCCOCCC(=O)O
InChIInChI=1S/C8H17N.C6H12O4/c1-2-6-9-7-4-3-5-8-9;1-9-4-5-10-3-2-6(7)8/h2-8H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyUEURJHHTQTXZCJ-UHFFFAOYSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[3-(azetidin-1-yl)propoxy]propanoic acid
CID 166535347
tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
CID 173154701
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833
methanol;1-propylpiperidine
CID 171515121
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]acetic acid
CID 103410865
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
CID 104564764
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655
3-[2-[2-[2-[2-[2-[3-methylbutanoyl-(1-propylpiperidin-4-yl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171508116
1-(2-methoxyethyl)azocane
CID 47014834
1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 174749863

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine?
The IUPAC name of 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine (CID 175288868) is 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine.
What is the SMILES notation for 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine?
The canonical SMILES for 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine is CCCN1CCCCC1.COCCOCCC(=O)O.
What is the InChIKey of 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine?
The InChIKey is UEURJHHTQTXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C6H12O4/c1-2-6-9-7-4-3-5-8-9;1-9-4-5-10-3-2-6(7)8/h2-8H2,1H3;2-5H2,1H3,(H,7,8).
What are the key properties of 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine?
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine has a molecular weight of 275.39 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine is sourced from PubChem (CID 175288868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).