7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C13H23NO5 — CID 106991473

IUPAC7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCCOCC(O)CN1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C13H23NO5/c1-18-4-5-19-8-10(15)7-14-9-2-3-12(14)11(6-9)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyJLUYNNHIXODMQM-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.05
Rot. Bonds8

About 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 106991473) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID106991473
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCCOCC(O)CN1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C13H23NO5/c1-18-4-5-19-8-10(15)7-14-9-2-3-12(14)11(6-9)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyJLUYNNHIXODMQM-UHFFFAOYSA-N
XLogP-0.05
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.05
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

1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
4-[2-hydroxy-3-(2-methoxyethoxy)propyl]morpholine-2-carboxylic acid
CID 106991398
7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106113049
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992702
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
7-(2-ethyl-2-hydroxybutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114494996
1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 106992286
3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
CID 106991448
7-(4-methylsulfanylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 103090473
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 106991473) is 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is COCCOCC(O)CN1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is JLUYNNHIXODMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-18-4-5-19-8-10(15)7-14-9-2-3-12(14)11(6-9)13(16)17/h9-12,15H,2-8H2,1H3,(H,16,17).
What are the key properties of 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 106991473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).