1-(azetidin-3-yl)pyrrolidine-3,4-diol

C7H14N2O2 — CID 106674356

IUPAC1-(azetidin-3-yl)pyrrolidine-3,4-diol
SMILESOC1CN(C2CNC2)CC1O
InChIInChI=1S/C7H14N2O2/c10-6-3-9(4-7(6)11)5-1-8-2-5/h5-8,10-11H,1-4H2
InChIKeyCARRHJJCDQUWNF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-2.00
Rot. Bonds1

About 1-(azetidin-3-yl)pyrrolidine-3,4-diol

1-(azetidin-3-yl)pyrrolidine-3,4-diol (PubChem CID 106674356) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(azetidin-3-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(azetidin-3-yl)pyrrolidine-3,4-diol
PubChem CID106674356
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(azetidin-3-yl)pyrrolidine-3,4-diol
SMILESOC1CN(C2CNC2)CC1O
InChIInChI=1S/C7H14N2O2/c10-6-3-9(4-7(6)11)5-1-8-2-5/h5-8,10-11H,1-4H2
InChIKeyCARRHJJCDQUWNF-UHFFFAOYSA-N
XLogP-2.00
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
CID 130802727
1-(azetidin-3-yl)pyrrolidin-3-ol
CID 55278856
3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
CID 138958511
1-(azetidin-3-yl)-3-methoxyazetidine
CID 89434796
[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid
CID 154997538
1-(azetidin-3-yl)-2-methylazetidin-3-ol
CID 162505403
4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130791969
4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol
CID 130647241
4-methyl-1-pyrrolidin-3-ylpiperidin-3-ol
CID 102969108
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
(1S,5R)-3-(azetidin-3-yl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 130654042
1-(azetidin-3-yl)-4-methylpiperazine
CID 20659800

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(azetidin-3-yl)pyrrolidine-3,4-diol (CID 106674356) is 1-(azetidin-3-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(azetidin-3-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(azetidin-3-yl)pyrrolidine-3,4-diol is OC1CN(C2CNC2)CC1O.
What is the InChIKey of 1-(azetidin-3-yl)pyrrolidine-3,4-diol?
The InChIKey is CARRHJJCDQUWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-6-3-9(4-7(6)11)5-1-8-2-5/h5-8,10-11H,1-4H2.
What are the key properties of 1-(azetidin-3-yl)pyrrolidine-3,4-diol?
1-(azetidin-3-yl)pyrrolidine-3,4-diol has a molecular weight of 158.20 g/mol, XLogP of -2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).