[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol

C13H25NO3 — CID 124863525

IUPAC[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
SMILESC[C@@]1(CO)CCN(CCO[C@H]2CCCCO2)C1
InChIInChI=1S/C13H25NO3/c1-13(11-15)5-6-14(10-13)7-9-17-12-4-2-3-8-16-12/h12,15H,2-11H2,1H3/t12-,13+/m0/s1
InChIKeySOCSEMDYGKVARP-QWHCGFSZSA-N
MW243.35 g/mol
LogP1.23
Rot. Bonds5

About [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol

[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol (PubChem CID 124863525) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
PubChem CID124863525
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
SMILESC[C@@]1(CO)CCN(CCO[C@H]2CCCCO2)C1
InChIInChI=1S/C13H25NO3/c1-13(11-15)5-6-14(10-13)7-9-17-12-4-2-3-8-16-12/h12,15H,2-11H2,1H3/t12-,13+/m0/s1
InChIKeySOCSEMDYGKVARP-QWHCGFSZSA-N
XLogP1.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
CID 103358054
2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
(3S)-1-benzyl-3-methyl-3-[2-(oxan-2-yloxy)ethoxymethyl]piperidine;[(3S)-1-benzyl-3-methylpiperidin-3-yl]methanol
CID 161228896
2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
CID 114799729
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013774
2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
CID 164633078
[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine
CID 120772413
(5R)-6-[2-[(2S)-oxan-2-yl]oxyethyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 124830345
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol (CID 124863525) is [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol is C[C@@]1(CO)CCN(CCO[C@H]2CCCCO2)C1.
What is the InChIKey of [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol?
The InChIKey is SOCSEMDYGKVARP-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(11-15)5-6-14(10-13)7-9-17-12-4-2-3-8-16-12/h12,15H,2-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol?
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 124863525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).