3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol

C8H17NO3 — CID 106938106

IUPAC3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
SMILESOCC(O)COCC1CCNC1
InChIInChI=1S/C8H17NO3/c10-4-8(11)6-12-5-7-1-2-9-3-7/h7-11H,1-6H2
InChIKeyKEDILIUPDGKKKB-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.03
Rot. Bonds5

About 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol

3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol (PubChem CID 106938106) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
PubChem CID106938106
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
SMILESOCC(O)COCC1CCNC1
InChIInChI=1S/C8H17NO3/c10-4-8(11)6-12-5-7-1-2-9-3-7/h7-11H,1-6H2
InChIKeyKEDILIUPDGKKKB-UHFFFAOYSA-N
XLogP-1.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939364
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
CID 146397764
3-(cyclopropylmethoxymethoxymethyl)pyrrolidine
CID 106938116
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
(3R)-3-(2-fluoroethoxymethyl)pyrrolidine
CID 86320647
2-methyl-1-(pyrrolidin-3-ylmethoxy)propan-2-ol
CID 106939814
1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol
CID 106991203
4-(2,2-difluoroethoxymethyl)piperidine
CID 62340537
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol?
The IUPAC name of 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol (CID 106938106) is 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol?
The canonical SMILES for 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol is OCC(O)COCC1CCNC1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol?
The InChIKey is KEDILIUPDGKKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c10-4-8(11)6-12-5-7-1-2-9-3-7/h7-11H,1-6H2.
What are the key properties of 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol?
3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol has a molecular weight of 175.23 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol is sourced from PubChem (CID 106938106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).