2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol

C15H29NO4 — CID 106993191

IUPAC2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCOCCOCC(O)CN1CCCC1C1CCCC1O
InChIInChI=1S/C15H29NO4/c1-19-8-9-20-11-12(17)10-16-7-3-5-14(16)13-4-2-6-15(13)18/h12-15,17-18H,2-11H2,1H3
InChIKeyGCCMNQQFOOHUKM-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.64
Rot. Bonds8

About 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 106993191) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID106993191
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCOCCOCC(O)CN1CCCC1C1CCCC1O
InChIInChI=1S/C15H29NO4/c1-19-8-9-20-11-12(17)10-16-7-3-5-14(16)13-4-2-6-15(13)18/h12-15,17-18H,2-11H2,1H3
InChIKeyGCCMNQQFOOHUKM-UHFFFAOYSA-N
XLogP0.64
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 106993191) is 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol is COCCOCC(O)CN1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is GCCMNQQFOOHUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-19-8-9-20-11-12(17)10-16-7-3-5-14(16)13-4-2-6-15(13)18/h12-15,17-18H,2-11H2,1H3.
What are the key properties of 2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 287.40 g/mol, XLogP of 0.64, 8 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]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 106993191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).