[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone

C10H17NO4 — CID 81329769

IUPAC[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2C[C@@H](O)[C@@H](O)C2)O1
InChIInChI=1S/C10H17NO4/c1-6-2-3-9(15-6)10(14)11-4-7(12)8(13)5-11/h6-9,12-13H,2-5H2,1H3/t6?,7-,8+,9?
InChIKeyWIISKIBDMSZVTP-VGKQMMLZSA-N
MW215.25 g/mol
LogP-0.88
Rot. Bonds1

About [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone (PubChem CID 81329769) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
PubChem CID81329769
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2C[C@@H](O)[C@@H](O)C2)O1
InChIInChI=1S/C10H17NO4/c1-6-2-3-9(15-6)10(14)11-4-7(12)8(13)5-11/h6-9,12-13H,2-5H2,1H3/t6?,7-,8+,9?
InChIKeyWIISKIBDMSZVTP-VGKQMMLZSA-N
XLogP-0.88
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The IUPAC name of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone (CID 81329769) is [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2C[C@@H](O)[C@@H](O)C2)O1.
What is the InChIKey of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The InChIKey is WIISKIBDMSZVTP-VGKQMMLZSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-2-3-9(15-6)10(14)11-4-7(12)8(13)5-11/h6-9,12-13H,2-5H2,1H3/t6?,7-,8+,9?.
What are the key properties of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone has a molecular weight of 215.25 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81329769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).