[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone

C14H25NO3 — CID 110023581

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CCC(C(C)O)C2)CCC1
InChIInChI=1S/C14H25NO3/c1-11(16)12-4-8-15(10-12)13(17)14(5-3-6-14)7-9-18-2/h11-12,16H,3-10H2,1-2H3
InChIKeyHTBZAEMMXQGOLS-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.42
Rot. Bonds5

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (PubChem CID 110023581) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
PubChem CID110023581
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CCC(C(C)O)C2)CCC1
InChIInChI=1S/C14H25NO3/c1-11(16)12-4-8-15(10-12)13(17)14(5-3-6-14)7-9-18-2/h11-12,16H,3-10H2,1-2H3
InChIKeyHTBZAEMMXQGOLS-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (CID 110023581) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is COCCC1(C(=O)N2CCC(C(C)O)C2)CCC1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The InChIKey is HTBZAEMMXQGOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(16)12-4-8-15(10-12)13(17)14(5-3-6-14)7-9-18-2/h11-12,16H,3-10H2,1-2H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone has a molecular weight of 255.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is sourced from PubChem (CID 110023581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).