[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone

C9H15NO3 — CID 129368566

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC[C@H](O)C1
InChIInChI=1S/C9H15NO3/c11-8-1-3-10(5-8)9(12)7-2-4-13-6-7/h7-8,11H,1-6H2/t7-,8-/m0/s1
InChIKeyTZBKBYXEEVSJBM-YUMQZZPRSA-N
MW185.22 g/mol
LogP-0.38
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone (PubChem CID 129368566) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
PubChem CID129368566
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC[C@H](O)C1
InChIInChI=1S/C9H15NO3/c11-8-1-3-10(5-8)9(12)7-2-4-13-6-7/h7-8,11H,1-6H2/t7-,8-/m0/s1
InChIKeyTZBKBYXEEVSJBM-YUMQZZPRSA-N
XLogP-0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80666825
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 114683166
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
[3-(2-chloroethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 114801260
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone (CID 129368566) is [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone is O=C([C@H]1CCOC1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The InChIKey is TZBKBYXEEVSJBM-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8-1-3-10(5-8)9(12)7-2-4-13-6-7/h7-8,11H,1-6H2/t7-,8-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone has a molecular weight of 185.22 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone is sourced from PubChem (CID 129368566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).