3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol

C9H19NO3 — CID 115773044

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
SMILESCOCC1CCN(CC(O)CO)C1
InChIInChI=1S/C9H19NO3/c1-13-7-8-2-3-10(4-8)5-9(12)6-11/h8-9,11-12H,2-7H2,1H3
InChIKeyMDQPJSPDSGLELL-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.69
Rot. Bonds5

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol

3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol (PubChem CID 115773044) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
PubChem CID115773044
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
SMILESCOCC1CCN(CC(O)CO)C1
InChIInChI=1S/C9H19NO3/c1-13-7-8-2-3-10(4-8)5-9(12)6-11/h8-9,11-12H,2-7H2,1H3
InChIKeyMDQPJSPDSGLELL-UHFFFAOYSA-N
XLogP-0.69
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
1-cyclopentyl-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103160053
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol
CID 64599683
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol (CID 115773044) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol is COCC1CCN(CC(O)CO)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol?
The InChIKey is MDQPJSPDSGLELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-13-7-8-2-3-10(4-8)5-9(12)6-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol?
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 115773044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).