(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol

C7H15NO3 — CID 118449008

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol
SMILESCO[C@H]1[C@H](O)[C@@H](CO)N[C@H]1C
InChIInChI=1S/C7H15NO3/c1-4-7(11-2)6(10)5(3-9)8-4/h4-10H,3H2,1-2H3/t4-,5+,6+,7+/m0/s1
InChIKeyFXBWNXLPFALTAX-BDVNFPICSA-N
MW161.20 g/mol
LogP-1.29
Rot. Bonds2

About (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol

(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol (PubChem CID 118449008) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol
PubChem CID118449008
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol
SMILESCO[C@H]1[C@H](O)[C@@H](CO)N[C@H]1C
InChIInChI=1S/C7H15NO3/c1-4-7(11-2)6(10)5(3-9)8-4/h4-10H,3H2,1-2H3/t4-,5+,6+,7+/m0/s1
InChIKeyFXBWNXLPFALTAX-BDVNFPICSA-N
XLogP-1.29
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
(3,5,6-trimethylpiperazin-2-yl)methanol
CID 164899965
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol
CID 135040331
[(2S)-4-methoxy-3-methylpyrrolidin-2-yl]methanol
CID 90158081
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol (CID 118449008) is (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol is CO[C@H]1[C@H](O)[C@@H](CO)N[C@H]1C.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol?
The InChIKey is FXBWNXLPFALTAX-BDVNFPICSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-7(11-2)6(10)5(3-9)8-4/h4-10H,3H2,1-2H3/t4-,5+,6+,7+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol has a molecular weight of 161.20 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 118449008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).