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

C10H17NO4 — CID 79403349

IUPAC[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H17NO4/c12-7-5-11(6-8(7)13)10(14)9-3-1-2-4-15-9/h7-9,12-13H,1-6H2/t7-,8+,9?
InChIKeyWFIRKNMQYPIANR-JVHMLUBASA-N
MW215.25 g/mol
LogP-0.88
Rot. Bonds1

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

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone (PubChem CID 79403349) 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]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
PubChem CID79403349
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H17NO4/c12-7-5-11(6-8(7)13)10(14)9-3-1-2-4-15-9/h7-9,12-13H,1-6H2/t7-,8+,9?
InChIKeyWFIRKNMQYPIANR-JVHMLUBASA-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

(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 103575844
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399
[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-(oxan-2-yl)methanone
CID 130522566
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone?
The IUPAC name of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone (CID 79403349) is [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone is O=C(C1CCCCO1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone?
The InChIKey is WFIRKNMQYPIANR-JVHMLUBASA-N. The full InChI is InChI=1S/C10H17NO4/c12-7-5-11(6-8(7)13)10(14)9-3-1-2-4-15-9/h7-9,12-13H,1-6H2/t7-,8+,9?.
What are the key properties of [(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone?
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-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]-(oxan-2-yl)methanone is sourced from PubChem (CID 79403349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).