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

C13H23NO3 — CID 97246479

IUPAC[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CC[C@H](CO)C2)CCC1
InChIInChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3/t11-/m0/s1
InChIKeyGEFKWBFTYHKTAK-NSHDSACASA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds5

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

[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (PubChem CID 97246479) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
PubChem CID97246479
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
SMILESCOCCC1(C(=O)N2CC[C@H](CO)C2)CCC1
InChIInChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3/t11-/m0/s1
InChIKeyGEFKWBFTYHKTAK-NSHDSACASA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone (CID 97246479) is [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is COCCC1(C(=O)N2CC[C@H](CO)C2)CCC1.
What is the InChIKey of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
The InChIKey is GEFKWBFTYHKTAK-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-8-6-13(4-2-5-13)12(16)14-7-3-11(9-14)10-15/h11,15H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone?
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone has a molecular weight of 241.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone is sourced from PubChem (CID 97246479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).