[(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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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 124593337
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 103773754
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
CID 81327620
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330276
[3-methyl-5-[(2S,5S)-5-methyloxolane-2-carbonyl]-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]-[(2S,5S)-5-methyloxolan-2-yl]methanone
CID 99715353
(2S,4S)-4-hydroxy-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81325341

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).