1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol

C10H19NO4 — CID 106674242

IUPAC1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
SMILESOC1CN(CC2COCCC2O)CC1O
InChIInChI=1S/C10H19NO4/c12-8-1-2-15-6-7(8)3-11-4-9(13)10(14)5-11/h7-10,12-14H,1-6H2
InChIKeyHSCUPFLGFKQJHI-UHFFFAOYSA-N
MW217.26 g/mol
LogP-1.58
Rot. Bonds2

About 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol

1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 106674242) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
PubChem CID106674242
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
SMILESOC1CN(CC2COCCC2O)CC1O
InChIInChI=1S/C10H19NO4/c12-8-1-2-15-6-7(8)3-11-4-9(13)10(14)5-11/h7-10,12-14H,1-6H2
InChIKeyHSCUPFLGFKQJHI-UHFFFAOYSA-N
XLogP-1.58
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061657
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol (CID 106674242) is 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol is OC1CN(CC2COCCC2O)CC1O.
What is the InChIKey of 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is HSCUPFLGFKQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c12-8-1-2-15-6-7(8)3-11-4-9(13)10(14)5-11/h7-10,12-14H,1-6H2.
What are the key properties of 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol?
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 217.26 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).