1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol

C8H17NO3 — CID 63930667

IUPAC1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
SMILESCOCC(O)CN1CCC(O)C1
InChIInChI=1S/C8H17NO3/c1-12-6-8(11)5-9-3-2-7(10)4-9/h7-8,10-11H,2-6H2,1H3
InChIKeyXWUXAYZYIBPZEV-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.94
Rot. Bonds4

About 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol

1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol (PubChem CID 63930667) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
PubChem CID63930667
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
SMILESCOCC(O)CN1CCC(O)C1
InChIInChI=1S/C8H17NO3/c1-12-6-8(11)5-9-3-2-7(10)4-9/h7-8,10-11H,2-6H2,1H3
InChIKeyXWUXAYZYIBPZEV-UHFFFAOYSA-N
XLogP-0.94
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
(3R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160997
(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160998
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
CID 63979053
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
CID 63928651
(3S)-1-[3-(4-bromophenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123162
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol (CID 63930667) is 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol is COCC(O)CN1CCC(O)C1.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol?
The InChIKey is XWUXAYZYIBPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-12-6-8(11)5-9-3-2-7(10)4-9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol?
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol has a molecular weight of 175.23 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol is sourced from PubChem (CID 63930667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).